3NBA
Phosphopantetheine Adenylyltranferase from Mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (AMPCPP)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004595 | molecular_function | pantetheine-phosphate adenylyltransferase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0009058 | biological_process | biosynthetic process |
| A | 0015937 | biological_process | coenzyme A biosynthetic process |
| A | 0016779 | molecular_function | nucleotidyltransferase activity |
| A | 0034214 | biological_process | protein hexamerization |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004595 | molecular_function | pantetheine-phosphate adenylyltransferase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0009058 | biological_process | biosynthetic process |
| B | 0015937 | biological_process | coenzyme A biosynthetic process |
| B | 0016779 | molecular_function | nucleotidyltransferase activity |
| B | 0034214 | biological_process | protein hexamerization |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004595 | molecular_function | pantetheine-phosphate adenylyltransferase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0009058 | biological_process | biosynthetic process |
| C | 0015937 | biological_process | coenzyme A biosynthetic process |
| C | 0016779 | molecular_function | nucleotidyltransferase activity |
| C | 0034214 | biological_process | protein hexamerization |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004595 | molecular_function | pantetheine-phosphate adenylyltransferase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0009058 | biological_process | biosynthetic process |
| D | 0015937 | biological_process | coenzyme A biosynthetic process |
| D | 0016779 | molecular_function | nucleotidyltransferase activity |
| D | 0034214 | biological_process | protein hexamerization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE APC A 200 |
| Chain | Residue |
| A | SER9 |
| A | VAL125 |
| A | SER126 |
| A | SER127 |
| A | SER128 |
| A | MG158 |
| A | HOH176 |
| A | HOH177 |
| A | HOH245 |
| A | HOH251 |
| A | HOH256 |
| A | PHE10 |
| A | HOH257 |
| A | GLY16 |
| A | HIS17 |
| A | ILE20 |
| A | GLY88 |
| A | ARG90 |
| A | THR118 |
| A | TYR122 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE APC B 200 |
| Chain | Residue |
| B | GLY8 |
| B | SER9 |
| B | PHE10 |
| B | GLY16 |
| B | HIS17 |
| B | ILE20 |
| B | LYS87 |
| B | GLY88 |
| B | ARG90 |
| B | THR118 |
| B | TYR122 |
| B | VAL125 |
| B | SER127 |
| B | SER128 |
| B | HOH163 |
| B | HOH164 |
| B | HOH254 |
| B | HOH281 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG A 158 |
| Chain | Residue |
| A | HOH177 |
| A | APC200 |
| site_id | AC4 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE APC C 200 |
| Chain | Residue |
| C | SER9 |
| C | PHE10 |
| C | GLY16 |
| C | HIS17 |
| C | ILE20 |
| C | GLY88 |
| C | ARG90 |
| C | THR118 |
| C | TYR122 |
| C | VAL125 |
| C | SER126 |
| C | SER127 |
| C | SER128 |
| C | MG158 |
| C | HOH166 |
| C | HOH170 |
| C | HOH248 |
| site_id | AC5 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE APC D 200 |
| Chain | Residue |
| D | PRO7 |
| D | GLY8 |
| D | SER9 |
| D | PHE10 |
| D | GLY16 |
| D | HIS17 |
| D | ILE20 |
| D | GLY88 |
| D | ARG90 |
| D | THR118 |
| D | TYR122 |
| D | VAL125 |
| D | SER126 |
| D | SER127 |
| D | SER128 |
| D | MG158 |
| D | HOH163 |
| D | HOH175 |
| D | HOH252 |
| D | HOH261 |
| D | HOH265 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG C 158 |
| Chain | Residue |
| C | APC200 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG D 158 |
| Chain | Residue |
| D | APC200 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00151, ECO:0000269|PubMed:20851704, ECO:0007744|PDB:3NBK |
| Chain | Residue | Details |
| A | SER9 | |
| A | VAL73 | |
| B | SER9 | |
| B | VAL73 | |
| C | SER9 | |
| C | VAL73 | |
| D | SER9 | |
| D | VAL73 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00151, ECO:0000269|PubMed:23151631, ECO:0000305|PubMed:20851704, ECO:0007744|PDB:3NBA, ECO:0007744|PDB:3UC5 |
| Chain | Residue | Details |
| A | HIS17 | |
| D | HIS17 | |
| D | GLY88 | |
| D | TYR122 | |
| A | GLY88 | |
| A | TYR122 | |
| B | HIS17 | |
| B | GLY88 | |
| B | TYR122 | |
| C | HIS17 | |
| C | GLY88 | |
| C | TYR122 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00151 |
| Chain | Residue | Details |
| A | LYS41 | |
| A | LYS87 | |
| B | LYS41 | |
| B | LYS87 | |
| C | LYS41 | |
| C | LYS87 | |
| D | LYS41 | |
| D | LYS87 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00151, ECO:0000269|PubMed:23151631, ECO:0007744|PDB:3UC5 |
| Chain | Residue | Details |
| A | GLU98 | |
| B | GLU98 | |
| C | GLU98 | |
| D | GLU98 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20851704, ECO:0007744|PDB:3NBK |
| Chain | Residue | Details |
| A | ASN105 | |
| B | ASN105 | |
| C | ASN105 | |
| D | ASN105 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:23151631, ECO:0000305|PubMed:20851704, ECO:0007744|PDB:3NBA, ECO:0007744|PDB:3UC5 |
| Chain | Residue | Details |
| A | THR118 | |
| B | THR118 | |
| C | THR118 | |
| D | THR118 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | SITE: Transition state stabilizer => ECO:0000255|HAMAP-Rule:MF_00151 |
| Chain | Residue | Details |
| A | HIS17 | |
| B | HIS17 | |
| C | HIS17 | |
| D | HIS17 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | MOD_RES: N-acetylthreonine => ECO:0007744|PubMed:21969609 |
| Chain | Residue | Details |
| A | THR2 | |
| B | THR2 | |
| C | THR2 | |
| D | THR2 |
