UniProt A6V1E4

Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase (A6V1E4)

Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase (UniProt A6V1E4), EC 2.3.1.129: 37 experimental structures and 1 predicted model on GenesisL1, 20 ligands bound, 257 pockets. Binding sites, druggability and…

UniProt: A6V1E4
Protein: Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase
EC: 2.3.1.129
Experimental structures: 37
Predicted models: 1
Ligands: 20
Pockets: 257 · 15 records with a druggable one

Structures

38 records of A6V1E4 in the MolNFT archive: 37 experimental, 1 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
5DEM	Structure of Pseudomonas aeruginosa LpxA	x-ray diffraction	A, B, C, D, E, F	PO4	20 (best 0.77)
5DEM	Structure of pseudomonas aeruginosa lpxa	x-ray diffraction	A, B, C, D, E, F	—	—
5DEP	Structure of pseudomonas aeruginosa lpxa in complex with udp-glcnac	x-ray diffraction	A, B, C, D, E, F	—	—
5DG3	Structure of Pseudomonas aeruginosa LpxA in complex with UDP-3-O-(R-3-hydroxydecanoyl)-GlcNAc	x-ray diffraction	A, B, C, D, E, F	U21, PO4	19 (best 0.77)
5DG3	Structure of pseudomonas aeruginosa lpxa in complex with udp-3-O-(R-3- hydroxydecanoyl)-glcnac	x-ray diffraction	A, B, C, D, E, F	—	—
6UEE	Pseudomonas aeruginosa LpxA Complex Structure with Ligand	x-ray diffraction	A, B, C, D, E, F	Q5M	—
6UEE	Pseudomonas aeruginosa lpxa complex structure with ligand	x-ray diffraction	A, B, C, D, E, F	Q5M	—
6UEG	Pseudomonas aeruginosa LpxA Complex Structure with Ligand	x-ray diffraction	A, B, C, D, E, F	Q5G, CA	20 (best 0.76)
6UEG	Pseudomonas aeruginosa lpxa complex structure with ligand	x-ray diffraction	A, B, C, D, E, F	Q5G, CA	—
7OJ6	Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1	x-ray diffraction	A, B, C	VFE, CL	—
7OJ6	Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 1	x-ray diffraction	A, B, C	VFE, CL	—
7OJP	Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1	x-ray diffraction	A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b, c, d	VFE, MG	20 (best 0.76)
7OJP	Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 1	x-ray diffraction	A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b, c, d	VFE, MG	—
7OJQ	Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7	x-ray diffraction	A, B, C	VJE	7 (best 0.73)
7OJQ	Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 7	x-ray diffraction	A, B, C	VJE	—
7OJW	Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 93	x-ray diffraction	A, B, C	VFW	10 (best 0.71)
7OJW	Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 93	x-ray diffraction	A, B, C	VFW	—
7OJY	Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6	x-ray diffraction	A, B, C	VGQ, CL	9 (best 0.73)
7OJY	Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 6	x-ray diffraction	A, B, C	VGQ, CL	—
7OK1	Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3	x-ray diffraction	A, B, C	VFN, CL	12 (best 0.71)
7OK1	Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 3	x-ray diffraction	A, B, C	VFN, CL	—
7OK2	Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3	x-ray diffraction	1, 2, 3, 4, A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z	VFN, SO4	20 (best 0.75)
7OK2	Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 3	x-ray diffraction	1, 2, 3, 4, A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z	VFN, SO4	—
7OKA	Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14	x-ray diffraction	A, B, C, D, E, F, G, H, I, M, N, O, J, K, L, P, Q, R, S, T, U, V, W, X, Y, Z, a, b, c, d	VFT, CL, SO4	20 (best 0.76)
7OKA	Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 14	x-ray diffraction	A, B, C, D, E, F, G, H, I, M, N, O, J, K, L, P, Q, R, S, T, U, V, W, X, Y, Z, a, b, c, d	VFT, CL, SO4	—
7T5R	P. aeruginosa LpxA in complex with ligand H7	x-ray diffraction	A, B, C, D, E, F	F30	20 (best 0.74)
7T5R	P. aeruginosa lpxa in complex with ligand H7	x-ray diffraction	A, B, C, D, E, F	F30	—
7T5S	P. aeruginosa LpxA in complex with ligand H16	x-ray diffraction	A, B, C, D, E, F	F3R	20 (best 0.78)
7T5S	P. aeruginosa lpxa in complex with ligand H16	x-ray diffraction	A, B, C, D, E, F	F3R	—
7T5X	P. aeruginosa LpxA in complex with ligand L6	x-ray diffraction	A, B, C, D, E, F	F4L	20 (best 0.78)
7T5X	P. aeruginosa lpxa in complex with ligand L6	x-ray diffraction	A, B, C, D, E, F	F4L	—
7T5Z	P. aeruginosa LpxA in complex with ligand L8	x-ray diffraction	A, B, C, D, E, F	F6I	20 (best 0.77)
7T5Z	P. aeruginosa lpxa in complex with ligand L8	x-ray diffraction	A, B, C, D, E, F	F6I	—
7T60	P. aeruginosa LpxA in complex with ligand L13	x-ray diffraction	A, B, C, D, E, F	F9H	20 (best 0.79)
7T60	P. aeruginosa lpxa in complex with ligand L13	x-ray diffraction	A, B, C, D, E, F	F9H	—
7T61	P. aeruginosa LpxA in complex with ligand L15	x-ray diffraction	A, B, C, D, E, F	FCU	—
7T61	P. aeruginosa lpxa in complex with ligand L15	x-ray diffraction	A, B, C, D, E, F	FCU	—
A6V1E4	AlphaFold monomer V2.0 prediction for acyl-[acyl-carrier- protein]--udp-N-acetylglucosamine…	predicted	A	—	—

Ligands

CL · Chloride ion · in 8 records
SO4 · Sulfate ion · in 4 records
VFE · 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide · in 4 records
VFN · ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl) methyl]ethanamide · in 4 records
CA · Calcium ion · in 2 records
F30 · 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide · in 2 records
F3R · N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide · in 2 records
F4L · Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide · in 2 records
F6I · (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl) benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide · in 2 records
F9H · (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide · in 2 records
FCU · (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide · in 2 records
MG · Magnesium ion · in 2 records
PO4 · Phosphate ion · in 2 records
Q5G · 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid · in 2 records
Q5M · 4-(naphthalen-1-yl)-4-oxobutanoic acid · in 2 records
VFT · 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl) methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide · in 2 records
VFW · 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl) phenyl]methyl]amino]-~{N}-methyl-ethanamide · in 2 records
VGQ · 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl) methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl) methyl]ethanamide · in 2 records
VJE · 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl) methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl) methyl]ethanamide · in 2 records
U21 · uridine-5'-diphosphate-3-O-(R-3-hydroxydecanoyl)-N-acetyl-D-glucosamine · in 1 record

Experiment against prediction

5DEP chain C against the predicted model A6V1E4: TM-score 0.99, RMSD 0.45 Å
5DEP chain B against the predicted model A6V1E4: TM-score 0.99, RMSD 0.45 Å
5DG3 chain D against the predicted model A6V1E4: TM-score 0.99, RMSD 0.45 Å
5DG3 chain D against the predicted model A6V1E4: TM-score 0.99, RMSD 0.45 Å
5DG3 chain B against the predicted model A6V1E4: TM-score 0.99, RMSD 0.45 Å
5DG3 chain B against the predicted model A6V1E4: TM-score 0.99, RMSD 0.45 Å
5DEM chain C against the predicted model A6V1E4: TM-score 0.99, RMSD 0.47 Å
5DEM chain C against the predicted model A6V1E4: TM-score 0.99, RMSD 0.47 Å
7T5Z chain C against the predicted model A6V1E4: TM-score 0.99, RMSD 0.49 Å
7T5Z chain C against the predicted model A6V1E4: TM-score 0.99, RMSD 0.49 Å

Elsewhere

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