UniProt P21589

5'-nucleotidase (P21589)

5'-nucleotidase (UniProt P21589), EC 3.1.3.5: 69 experimental structures and 1 predicted model on GenesisL1, 33 ligands bound, 117 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.

UniProt: P21589
Protein: 5'-nucleotidase
EC: 3.1.3.5
Experimental structures: 69
Predicted models: 1
Ligands: 33
Pockets: 117 · 22 records with a druggable one

Structures

70 records of P21589 in the MolNFT archive: 69 experimental, 1 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
4H1S	Crystal Structure of a Truncated Soluble form of Human CD73 with Ecto-5'-Nucleotidase activity	x-ray diffraction	A, B	—	—
4H1S	Crystal structure of a truncated soluble form of human CD73 with ecto- 5'-nucleotidase activity	x-ray diffraction	A, B	—	—
4H1Y	Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with PSB11552	x-ray diffraction	P	—	—
4H1Y	Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with PSB11552	x-ray diffraction	P	—	—
4H2B	Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with Baicalin	x-ray diffraction	A	—	—
4H2B	Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with baicalin	x-ray diffraction	A	—	—
4H2F	Human ecto-5'-nucleotidase (CD73): crystal form I (open) in complex with adenosine	x-ray diffraction	A	—	—
4H2F	Human ecto-5'-nucleotidase (CD73): crystal form I (open) in complex with adenosine	x-ray diffraction	A	—	—
4H2G	Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with adenosine	x-ray diffraction	A	—	—
4H2G	Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with adenosine	x-ray diffraction	A	—	—
4H2I	Human ecto-5'-nucleotidase (CD73): crystal form III (closed) in complex with AMPCP	x-ray diffraction	A	—	—
4H2I	Human ecto-5'-nucleotidase (CD73): crystal form III (closed) in complex with ampcp	x-ray diffraction	A	—	—
6HXW	structure of human CD73 in complex with antibody IPH53	x-ray diffraction	A, B	NAG, ZN	—
6HXW	Structure of human CD73 in complex with antibody IPH53	x-ray diffraction	A, B	NAG, ZN	—
6S7F	Human CD73 (5'-nucleotidase) in complex with PSB12379 (an AOPCP derivative) in the closed state	x-ray diffraction	A	ZN, CA, KYK	3 (best 0.74)
6S7F	Human CD73 (5'-nucleotidase) in complex with PSB12379 (an aopcp derivative) in the closed state	x-ray diffraction	A	ZN, CA, KYK	—
6S7H	Human CD73 (5'-nucleotidase) in complex with PSB12489 (an AOPCP derivative) in the closed state	x-ray diffraction	A	ZN, CA, KYW	3 (best 0.75)
6S7H	Human CD73 (5'-nucleotidase) in complex with PSB12489 (an aopcp derivative) in the closed state	x-ray diffraction	A	ZN, CA, KYW	—
6TVE	Unliganded human CD73 (5'-nucleotidase) in the open state	x-ray diffraction	P	CA, ZN	4 (best 0.64)
6TVE	Unliganded human CD73 (5'-nucleotidase) in the open state	x-ray diffraction	P	CA, ZN	—
6TVX	Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in…	x-ray diffraction	A	ZN, NYW	4 (best 0.74)
6TVX	Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an aopcp derivative, compound 9 in…	x-ray diffraction	A	ZN, NYW	—
6TW0	Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in…	x-ray diffraction	A	ZN, NYZ	4 (best 0.74)
6TW0	Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an aopcp derivative, compound 10 in…	x-ray diffraction	A	ZN, NYZ	—
6TWA	Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in…	x-ray diffraction	A	ZN, O02, CA	4 (best 0.74)
6TWA	Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an aopcp derivative, compound 20 in…	x-ray diffraction	A	ZN, O02, CA	—
6TWF	Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an aopcp derivative, compound 21 in…	x-ray diffraction	A	ZN, CA, O05	—
6XUE	Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed…	x-ray diffraction	A, B	ZN, CA, PO4, O1H	—
6XUE	Human ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed…	x-ray diffraction	A, B	ZN, CA, PO4, O1H	—
6XUG	Human ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed…	x-ray diffraction	A, B	ZN, CA, PO4, O1Q	—
6XUQ	Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed…	x-ray diffraction	A	ZN, CA, O1T	5 (best 0.75)
6XUQ	Human ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1B in publication) in the closed…	x-ray diffraction	A	ZN, CA, O1T	—
6YE1	Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in…	x-ray diffraction	A, B	ZN, OO2	8 (best 0.76)
6YE1	Human ecto-5'-nucleotidase (CD73) in complex with the ampcp derivative A894 (compound 2N in…	x-ray diffraction	A, B	ZN, OO2	—
6YE2	Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in…	x-ray diffraction	A, B	ZN, OO5, CA	9 (best 0.76)
6YE2	Human ecto-5'-nucleotidase (CD73) in complex with the ampcp derivative A1202 (compound 4A in…	x-ray diffraction	A, B	ZN, OO5, CA	—
6Z9B	Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in…	x-ray diffraction	A	ZN, CA, QCQ	5 (best 0.76)
6Z9B	Human ecto-5'-nucleotidase (CD73) in complex with aopcp derivative A830 (compound 16 in…	x-ray diffraction	A	ZN, CA, QCQ	—
6Z9D	Human ecto-5'-nucleotidase (CD73) in complex with aopcp derivative AB680 (compound 55 in…	x-ray diffraction	A	ZN, CA, QDH	—
7BBJ	CD73 in complex with the humanized antagonistic antibody MAB19	x-ray diffraction	A, B	ZN, MG	—
7JV8	Human CD73 (ecto 5'-nucleotidase) in complex with compound 35	x-ray diffraction	A, B, C, D	ZN, CA, VPD	18 (best 0.85)
7JV8	Human CD73 (ecto 5'-nucleotidase) in complex with compound 35	x-ray diffraction	A, B, C, D	ZN, CA, VPD	—
7JV9	Human CD73 (ecto 5'-nucleotidase) in complex with compound 12	x-ray diffraction	A, B	ZN, CA, NAG, VPG, PO4	7 (best 0.85)
7JV9	Human CD73 (ecto 5'-nucleotidase) in complex with compound 12	x-ray diffraction	A, B	ZN, CA, NAG, VPG, PO4	—
7P9N	Crystal structure of CD73 in complex with AMP in the open form	x-ray diffraction	A	ZN, CA, AMP	—
7P9N	Crystal structure of CD73 in complex with AMP in the open form	x-ray diffraction	A	ZN, CA, AMP	—
7P9R	Crystal structure of CD73 in complex with GMP in the open form	x-ray diffraction	A	ZN, CA, G	4 (best 0.66)
7P9R	Crystal structure of CD73 in complex with gmp in the open form	x-ray diffraction	A	ZN, CA, G	—
7P9T	Crystal structure of CD73 in complex with dCMP in the open form	x-ray diffraction	A	ZN, CA, DCM	4 (best 0.74)
7P9T	Crystal structure of CD73 in complex with dcmp in the open form	x-ray diffraction	A	ZN, CA, DCM	—
7PA4	Crystal structure of CD73 in complex with CMP in the open form	x-ray diffraction	A	ZN, CA, CL, C	6 (best 0.66)
7PA4	Crystal structure of CD73 in complex with cmp in the open form	x-ray diffraction	A	ZN, CA, CL, C	—
7PB5	Crystal structure of CD73 in complex with UMP in the open form	x-ray diffraction	A	ZN, CA, U	5 (best 0.66)
7PB5	Crystal structure of CD73 in complex with ump in the open form	x-ray diffraction	A	ZN, CA, U	—
7PBA	Crystal structure of CD73 in complex with IMP in the open form	x-ray diffraction	A	ZN, CA, IMP	4 (best 0.66)
7PBA	Crystal structure of CD73 in complex with imp in the open form	x-ray diffraction	A	ZN, CA, IMP	—
7PBB	Crystal structure of CD73 in complex with caffeine in the open form	x-ray diffraction	A	ZN, CA, CFF	—
7PBY	Crystal structure of CD73 in complex with 4-nitrocatechol in the open form	x-ray diffraction	A	ZN, CA, 4NC	3 (best 0.65)
7PBY	Crystal structure of CD73 in complex with 4-nitrocatechol in the open form	x-ray diffraction	A	ZN, CA, 4NC	—
7PCP	Crystal structure of CD73 in complex with 5-iodouracil in the open form	x-ray diffraction	A	ZN, CA, IUR	6 (best 0.67)

10 records more on the page itself.

Ligands

ZN · Zinc ion · in 57 records
CA · Calcium ion · in 46 records
PO4 · Phosphate ion · in 5 records
BW0 · [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid · in 4 records
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 4 records
4NC · 4-nitrocatechol · in 2 records
AMP · Adenosine monophosphate · in 2 records
BOI · [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid · in 2 records
C · Cytidine-5'-monophosphate · in 2 records
CL · Chloride ion · in 2 records
DCM · 2'-deoxycytidine-5'-monophosphate · in 2 records
G · Guanosine-5'-monophosphate · in 2 records
IMP · Inosinic acid · in 2 records
IUR · 5-iodouracil · in 2 records
KYK · N6-benzyl-(alpha,beta)-methylene-ADP · in 2 records
KYW · (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP · in 2 records
NYW · [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid · in 2 records
NYZ · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl) oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid · in 2 records
O02 · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid · in 2 records
O1H · 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile · in 2 records
O1T · [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid · in 2 records
OO2 · [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid · in 2 records
OO5 · [(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid · in 2 records
QCQ · [[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid · in 2 records
RBF · Riboflavin · in 2 records
U · Uridine-5'-monophosphate · in 2 records
VPD · 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine · in 2 records
VPG · 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3, 4-d]pyrimidin-4-amine · in 2 records
CFF · Caffeine · in 1 record
MG · Magnesium ion · in 1 record

Experiment against prediction

6HXW chain B against the predicted model P21589: TM-score 0.99, RMSD 0.60 Å
6HXW chain B against the predicted model P21589: TM-score 0.99, RMSD 0.60 Å
6HXW chain A against the predicted model P21589: TM-score 0.99, RMSD 0.63 Å
6HXW chain A against the predicted model P21589: TM-score 0.99, RMSD 0.63 Å
7JV8 chain D against the predicted model P21589: TM-score 0.99, RMSD 0.71 Å
7JV8 chain D against the predicted model P21589: TM-score 0.99, RMSD 0.71 Å
6XUG chain A against the predicted model P21589: TM-score 0.99, RMSD 0.78 Å
6XUE chain A against the predicted model P21589: TM-score 0.99, RMSD 0.86 Å
6XUE chain A against the predicted model P21589: TM-score 0.99, RMSD 0.86 Å
6XUG chain B against the predicted model P21589: TM-score 0.99, RMSD 0.85 Å

Elsewhere

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.