2QO1
2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000062 | molecular_function | fatty-acyl-CoA binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0008610 | biological_process | lipid biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| 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 | 0003824 | molecular_function | catalytic activity |
| B | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0008610 | biological_process | lipid biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| 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 | 3 |
| Details | BINDING SITE FOR RESIDUE VZZ A 760 |
| Chain | Residue |
| A | TRP32 |
| A | ALA246 |
| A | ASN247 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE D1T A 761 |
| Chain | Residue |
| A | CYS112 |
| A | LEU142 |
| A | THR145 |
| A | GLN191 |
| A | PHE204 |
| A | ALA306 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE VZZ B 760 |
| Chain | Residue |
| B | ILE156 |
| B | LEU207 |
| B | PRO210 |
| B | PHE213 |
| B | ALA246 |
| B | ASN247 |
| B | ASN274 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE D1T B 761 |
| Chain | Residue |
| A | GLN86 |
| A | THR87 |
| B | ASN81 |
| B | CYS112 |
| B | LEU142 |
| B | PHE157 |
| B | GLN191 |
| B | TRP195 |
| B | PHE204 |
| B | SER276 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Region: {"description":"ACP-binding","evidences":[{"source":"HAMAP-Rule","id":"MF_01815","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | Active site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01815","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11278743","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"16040614","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15713483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18096200","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1U6S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2QX1","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15713483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11278743","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1HZP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1U6S","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11278743","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1HZP","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15713483","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1U6S","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N-acetylthreonine","evidences":[{"source":"PubMed","id":"21969609","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"19074144","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
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 |
