UniProt B7MJ81

Acyl carrier protein (B7MJ81)

Acyl carrier protein (UniProt B7MJ81): 24 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 46 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.

UniProt: B7MJ81
Protein: Acyl carrier protein
Experimental structures: 24
Predicted models: 1
Ligands: 9
Pockets: 46 · 9 records with a druggable one

Structures

25 records of B7MJ81 in the MolNFT archive: 24 experimental, 1 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
5KOF	Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and Acyl Carrier…	x-ray diffraction	C, D	6W5	6 (best 0.75)
5KOF	Crosslinked crystal structure of type II fatty acid synthase ketosynthase, fabb, and acyl carrier…	x-ray diffraction	C, D	6W5	—
5VCB	Crystal structure of holo-(acyl-carrier-protein) synthase:holo(acyl-carrier-protein) complex from…	x-ray diffraction	f, e, d, K, J, L, F, E, D, P, R, Q, X, W, V	PNS	—
5VCB	Crystal structure of holo-(acyl-carrier-protein) SYNTHASE:HOLO(ACYL- carrier-protein) complex from…	x-ray diffraction	f, e, d, K, J, L, F, E, D, P, R, Q, X, W, V	PNS	—
5WGB	Crystal Structure of the Human mitochondrial Cysteine Desulfurase in complex with ISD11 and E. coli…	x-ray diffraction	C	8Q1	4 (best 0.72)
5WGB	Crystal structure of the human mitochondrial cysteine desulfurase in complex with ISD11 and E. COLI…	x-ray diffraction	C	8Q1	—
5WKP	Crystal Structure of the Human mitochondrial Cysteine Desulfurase in complex with ISD11 and…	x-ray diffraction	C, G	8Q1	6 (best 0.74)
5WKP	Crystal structure of the human mitochondrial cysteine desulfurase in complex with ISD11 and…	x-ray diffraction	C, G	8Q1	—
5WLW	Crystal structure of the human mitochondrial cysteine desulfurase with active cysteine loop within…	x-ray diffraction	C, G	8Q1	—
6DFL	Waap in complex with acyl carrier protein	x-ray diffraction	B	G9S	—
6N3P	Crosslinked AcpP=FabZ complex from E. coli Type II FAS	x-ray diffraction	G, H, I, J, K, L	XLN	11 (best 0.74)
6N3P	Crosslinked ACPP=FABZ complex from E. COLI type II fas	x-ray diffraction	G, H, I, J, K, L	XLN	—
6UXE	Structure of the human mitochondrial desulfurase complex NFS1- ISCU2(M140I)-ISD11 with E.COLI ACP1…	x-ray diffraction	C	8Q1	—
6W1D	Structure of human mitochondrial complex Nfs1-ISCU2 (WT)-ISD11 with E.coli ACP1 at 1.8 A resolution…	x-ray diffraction	C	8Q1	3 (best 0.73)
6W1D	Structure of human mitochondrial complex NFS1-ISCU2 (wt)-ISD11 with E.COLI ACP1 at 1.8 a resolution…	x-ray diffraction	C	8Q1	—
6WI2	Structure of human mitochondrial complex Nfs1-ISCU2-ISD11 with E.coli ACP1 at 1.95 A resolution…	x-ray diffraction	C	EDT, 8Q1	3 (best 0.75)
6WI2	Structure of human mitochondrial complex NFS1-ISCU2-ISD11 with E.COLI ACP1 at 1.95 a resolution…	x-ray diffraction	C	8Q1	—
6WIH	N-terminal mutation of ISCU2 (L35H36) traps Nfs1 Cys loop in the active site of ISCU2 without metal…	x-ray diffraction	C	8Q1	3 (best 0.73)
6WIH	N-terminal mutation of ISCU2 (L35H36) traps NFS1 cys loop in the active site of ISCU2 without metal…	x-ray diffraction	C	8Q1	—
7RTK	Structure of the (NIAU)2 complex with N-terminal mutation of ISCU2 Y35D at 2.5 A resolution	x-ray diffraction	C	8Q1	3 (best 0.73)
7RTK	Structure of the (NIAU)2 complex with N-terminal mutation of ISCU2 Y35D at 2.5 a resolution	x-ray diffraction	C	8Q1	—
7SQI	Crosslinked crystal structure of type II fatty acid synthase ketosynthase, fabb, and C14-crypto…	x-ray diffraction	C, D	A7V	—
7SZ9	Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto…	x-ray diffraction	C, D	DJ5	7 (best 0.82)
8DLE	Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl…	x-ray diffraction	B	SWC	—
B7MJ81	AlphaFold monomer V2.0 prediction for acyl carrier protein (B7MJ81)	predicted	A	—	—

Ligands

8Q1 · S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate · in 14 records
6W5 · [(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino) ethylamino]propyl]amino]butyl] dihydrogen phosphate · in 2 records
PNS · 4'-phosphopantetheine · in 2 records
XLN · N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide · in 2 records
A7V · N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alaninamide · in 1 record
DJ5 · N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide · in 1 record
EDT · {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid · in 1 record
G9S · S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate · in 1 record
SWC · N-{(2R)-2-hydroxy-3,3-dimethyl-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]butanoyl}-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide · in 1 record

Experiment against prediction

7SQI chain D against the predicted model B7MJ81: TM-score 0.97, RMSD 0.51 Å
6UXE chain C against the predicted model B7MJ81: TM-score 0.97, RMSD 0.52 Å
7SZ9 chain D against the predicted model B7MJ81: TM-score 0.97, RMSD 0.53 Å
6WI2 chain C against the predicted model B7MJ81: TM-score 0.97, RMSD 0.53 Å
6WI2 chain C against the predicted model B7MJ81: TM-score 0.97, RMSD 0.53 Å
6W1D chain C against the predicted model B7MJ81: TM-score 0.97, RMSD 0.54 Å
6W1D chain C against the predicted model B7MJ81: TM-score 0.97, RMSD 0.54 Å
6WIH chain C against the predicted model B7MJ81: TM-score 0.97, RMSD 0.55 Å
6WIH chain C against the predicted model B7MJ81: TM-score 0.97, RMSD 0.55 Å
7RTK chain C against the predicted model B7MJ81: TM-score 0.97, RMSD 0.56 Å

Elsewhere

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