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 |