6R2C
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester (PESP)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016624 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor |
| A | 0030976 | molecular_function | thiamine pyrophosphate binding |
| B | 0016624 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor |
| B | 0030976 | molecular_function | thiamine pyrophosphate binding |
| C | 0016624 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor |
| C | 0030976 | molecular_function | thiamine pyrophosphate binding |
| D | 0016624 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor |
| D | 0030976 | molecular_function | thiamine pyrophosphate binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | binding site for residue TPP A 2001 |
| Chain | Residue |
| A | ARG540 |
| A | ILE680 |
| A | GLY681 |
| A | HIS747 |
| A | MG2002 |
| A | JQ52004 |
| A | HOH2103 |
| A | HOH2175 |
| A | HOH2199 |
| A | HOH2244 |
| A | HOH2263 |
| A | SER604 |
| B | GLN901 |
| B | LEU950 |
| B | GLU952 |
| B | GLN976 |
| B | PHE980 |
| A | HIS605 |
| A | LEU606 |
| A | GLY644 |
| A | ASP645 |
| A | ALA646 |
| A | ALA647 |
| A | ASN678 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 2002 |
| Chain | Residue |
| A | ASP645 |
| A | ASN678 |
| A | ILE680 |
| A | TPP2001 |
| A | HOH2103 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 2003 |
| Chain | Residue |
| A | ASP1004 |
| A | HIS1055 |
| A | ASP1058 |
| A | ILE1060 |
| A | HOH2114 |
| A | HOH2245 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | binding site for residue JQ5 A 2004 |
| Chain | Residue |
| A | HIS539 |
| A | HIS579 |
| A | SER604 |
| A | PHE682 |
| A | HIS747 |
| A | ASN748 |
| A | TPP2001 |
| A | HOH2106 |
| B | GLN976 |
| B | PHE980 |
| B | HIS1020 |
| site_id | AC5 |
| Number of Residues | 24 |
| Details | binding site for residue TPP B 2001 |
| Chain | Residue |
| A | GLN901 |
| A | LEU950 |
| A | GLU952 |
| A | GLN976 |
| A | PHE980 |
| B | ARG540 |
| B | SER604 |
| B | HIS605 |
| B | LEU606 |
| B | GLY644 |
| B | ASP645 |
| B | ALA646 |
| B | ALA647 |
| B | ASN678 |
| B | ILE680 |
| B | GLY681 |
| B | HIS747 |
| B | MG2002 |
| B | JQ52004 |
| B | HOH2121 |
| B | HOH2132 |
| B | HOH2194 |
| B | HOH2198 |
| B | HOH2296 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 2002 |
| Chain | Residue |
| B | ASP645 |
| B | ASN678 |
| B | ILE680 |
| B | TPP2001 |
| B | HOH2132 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 2003 |
| Chain | Residue |
| B | ASP1004 |
| B | HIS1055 |
| B | ASP1058 |
| B | ILE1060 |
| B | HOH2150 |
| B | HOH2271 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | binding site for residue JQ5 B 2004 |
| Chain | Residue |
| A | GLN976 |
| A | PHE977 |
| A | PHE980 |
| A | HIS1020 |
| B | HIS539 |
| B | HIS579 |
| B | SER604 |
| B | PHE682 |
| B | HIS747 |
| B | TPP2001 |
| B | HOH2106 |
| B | HOH2217 |
| site_id | AC9 |
| Number of Residues | 24 |
| Details | binding site for residue TPP C 2001 |
| Chain | Residue |
| C | ALA646 |
| C | ALA647 |
| C | ASN678 |
| C | ILE680 |
| C | GLY681 |
| C | HIS747 |
| C | MG2002 |
| C | JQ52004 |
| C | HOH2121 |
| C | HOH2137 |
| C | HOH2174 |
| C | HOH2211 |
| C | HOH2238 |
| D | GLN901 |
| D | LEU950 |
| D | GLU952 |
| D | GLN976 |
| D | PHE980 |
| C | ARG540 |
| C | SER604 |
| C | HIS605 |
| C | LEU606 |
| C | GLY644 |
| C | ASP645 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 2002 |
| Chain | Residue |
| C | ASP645 |
| C | ASN678 |
| C | ILE680 |
| C | TPP2001 |
| C | HOH2121 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue CA C 2003 |
| Chain | Residue |
| C | ASP1004 |
| C | HIS1055 |
| C | ASP1058 |
| C | ILE1060 |
| C | HOH2143 |
| C | HOH2250 |
| site_id | AD3 |
| Number of Residues | 13 |
| Details | binding site for residue JQ5 C 2004 |
| Chain | Residue |
| C | ARG505 |
| C | HIS539 |
| C | HIS579 |
| C | SER604 |
| C | PHE682 |
| C | HIS747 |
| C | ASN748 |
| C | TPP2001 |
| C | HOH2103 |
| C | HOH2185 |
| D | GLN976 |
| D | PHE980 |
| D | HIS1020 |
| site_id | AD4 |
| Number of Residues | 24 |
| Details | binding site for residue TPP D 2001 |
| Chain | Residue |
| C | GLN901 |
| C | LEU950 |
| C | GLU952 |
| C | GLN976 |
| C | PHE980 |
| D | ARG540 |
| D | SER604 |
| D | HIS605 |
| D | LEU606 |
| D | GLY644 |
| D | ASP645 |
| D | ALA646 |
| D | ALA647 |
| D | ASN678 |
| D | ILE680 |
| D | GLY681 |
| D | HIS747 |
| D | MG2002 |
| D | JQ52004 |
| D | HOH2153 |
| D | HOH2160 |
| D | HOH2167 |
| D | HOH2210 |
| D | HOH2213 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 2002 |
| Chain | Residue |
| D | ASP645 |
| D | ASN678 |
| D | ILE680 |
| D | TPP2001 |
| D | HOH2153 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue CA D 2003 |
| Chain | Residue |
| D | ASP1004 |
| D | HIS1055 |
| D | ASP1058 |
| D | ILE1060 |
| D | HOH2144 |
| D | HOH2227 |
| site_id | AD7 |
| Number of Residues | 14 |
| Details | binding site for residue JQ5 D 2004 |
| Chain | Residue |
| C | GLN976 |
| C | PHE977 |
| C | PHE980 |
| C | HIS1020 |
| D | ARG505 |
| D | HIS539 |
| D | HIS579 |
| D | SER604 |
| D | PHE682 |
| D | HIS747 |
| D | ASN748 |
| D | TPP2001 |
| D | HOH2108 |
| D | HOH2198 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 60 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:21867916, ECO:0007744|PDB:2XTA |
| Chain | Residue | Details |
| A | ARG540 | |
| A | ARG1054 | |
| A | LYS1089 | |
| A | SER1092 | |
| A | GLN1142 | |
| A | ARG1149 | |
| A | ARG1150 | |
| B | ARG540 | |
| B | SER604 | |
| B | LEU606 | |
| B | ASP645 | |
| A | SER604 | |
| B | ALA646 | |
| B | ALA647 | |
| B | ASN678 | |
| B | ILE680 | |
| B | THR1038 | |
| B | ARG1054 | |
| B | LYS1089 | |
| B | SER1092 | |
| B | GLN1142 | |
| B | ARG1149 | |
| A | LEU606 | |
| B | ARG1150 | |
| C | ARG540 | |
| C | SER604 | |
| C | LEU606 | |
| C | ASP645 | |
| C | ALA646 | |
| C | ALA647 | |
| C | ASN678 | |
| C | ILE680 | |
| C | THR1038 | |
| A | ASP645 | |
| C | ARG1054 | |
| C | LYS1089 | |
| C | SER1092 | |
| C | GLN1142 | |
| C | ARG1149 | |
| C | ARG1150 | |
| D | ARG540 | |
| D | SER604 | |
| D | LEU606 | |
| D | ASP645 | |
| A | ALA646 | |
| D | ALA646 | |
| D | ALA647 | |
| D | ASN678 | |
| D | ILE680 | |
| D | THR1038 | |
| D | ARG1054 | |
| D | LYS1089 | |
| D | SER1092 | |
| D | GLN1142 | |
| D | ARG1149 | |
| A | ALA647 | |
| D | ARG1150 | |
| A | ASN678 | |
| A | ILE680 | |
| A | THR1038 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:21867916, ECO:0007744|PDB:2Y0P |
| Chain | Residue | Details |
| A | HIS579 | |
| A | HIS1020 | |
| B | HIS579 | |
| B | HIS1020 | |
| C | HIS579 | |
| C | HIS1020 | |
| D | HIS579 | |
| D | HIS1020 |
