2QNY
Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000062 | molecular_function | fatty-acyl-CoA binding |
| A | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0008610 | biological_process | lipid biosynthetic process |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0030497 | biological_process | fatty acid elongation |
| A | 0033818 | molecular_function | beta-ketoacyl-acyl-carrier-protein synthase III activity |
| A | 0035336 | biological_process | long-chain fatty-acyl-CoA metabolic process |
| A | 0061990 | molecular_function | beta-ketodecanoyl-[acyl-carrier-protein] synthase activity |
| B | 0000062 | molecular_function | fatty-acyl-CoA binding |
| B | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0008610 | biological_process | lipid biosynthetic process |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0030497 | biological_process | fatty acid elongation |
| B | 0033818 | molecular_function | beta-ketoacyl-acyl-carrier-protein synthase III activity |
| B | 0035336 | biological_process | long-chain fatty-acyl-CoA metabolic process |
| B | 0061990 | molecular_function | beta-ketodecanoyl-[acyl-carrier-protein] synthase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE DFD A 760 |
| Chain | Residue |
| A | ASN81 |
| A | PHE246 |
| A | ASN274 |
| A | SER276 |
| A | GLY305 |
| A | ALA306 |
| B | GLN86 |
| B | THR87 |
| A | GLY111 |
| A | CYS112 |
| A | LEU142 |
| A | THR145 |
| A | ILE189 |
| A | GLN191 |
| A | PHE204 |
| A | HIS244 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME A 962 |
| Chain | Residue |
| A | CYS23 |
| A | TRP32 |
| A | ARG151 |
| A | PHE155 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME A 963 |
| Chain | Residue |
| A | ILE22 |
| A | MET148 |
| A | CYS154 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE DFD B 760 |
| Chain | Residue |
| A | GLN86 |
| A | THR87 |
| B | CYS112 |
| B | LEU142 |
| B | ILE189 |
| B | GLN191 |
| B | PHE204 |
| B | PHE246 |
| B | SER276 |
| B | GLY305 |
| B | ALA306 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME B 962 |
| Chain | Residue |
| B | CYS23 |
| B | TRP32 |
| B | ARG151 |
| B | PHE155 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_01815, ECO:0000305|PubMed:11278743, ECO:0000305|PubMed:16040614 |
| Chain | Residue | Details |
| A | CYS112 | |
| A | HIS244 | |
| A | ASN274 | |
| B | CYS112 | |
| B | HIS244 | |
| B | ASN274 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15713483, ECO:0000305|PubMed:18096200, ECO:0007744|PDB:1U6S, ECO:0007744|PDB:2QX1 |
| Chain | Residue | Details |
| A | SER28 | |
| B | SER28 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15713483, ECO:0000305|PubMed:11278743, ECO:0007744|PDB:1HZP, ECO:0007744|PDB:1U6S |
| Chain | Residue | Details |
| A | CYS112 | |
| B | CYS112 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:11278743, ECO:0007744|PDB:1HZP |
| Chain | Residue | Details |
| A | ASN274 | |
| A | TYR304 | |
| B | ASN274 | |
| B | TYR304 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15713483, ECO:0007744|PDB:1U6S |
| Chain | Residue | Details |
| A | ALA306 | |
| B | ALA306 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylthreonine => ECO:0007744|PubMed:21969609 |
| Chain | Residue | Details |
| A | THR-9 | |
| B | THR-9 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine => ECO:0000269|PubMed:19074144 |
| Chain | Residue | Details |
| A | THR35 | |
| B | THR35 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1cgk |
| Chain | Residue | Details |
| A | ASN274 | |
| A | CYS112 | |
| A | PHE157 | |
| A | HIS244 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1cgk |
| Chain | Residue | Details |
| B | ASN274 | |
| B | CYS112 | |
| B | PHE157 | |
| B | HIS244 |
