2XTA
Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase in complex with acetyl-CoA (triclinic form)
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 | 22 |
Details | BINDING SITE FOR RESIDUE TPP A 2001 |
Chain | Residue |
A | ARG540 |
A | ILE680 |
A | GLY681 |
A | HIS747 |
A | MG2002 |
A | HOH3046 |
A | HOH3187 |
A | HOH3188 |
A | HOH3189 |
B | GLN901 |
B | LEU950 |
A | SER604 |
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 | HOH3046 |
site_id | AC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE CA A 2003 |
Chain | Residue |
A | ASP1004 |
A | HIS1055 |
A | ASP1058 |
A | ILE1060 |
A | HOH3144 |
site_id | AC4 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE ACO A 2004 |
Chain | Residue |
A | THR1038 |
A | ARG1054 |
A | ASP1058 |
A | ILE1060 |
A | LYS1089 |
A | SER1092 |
A | GLN1142 |
A | PRO1145 |
A | PRO1147 |
A | ARG1148 |
A | ARG1149 |
A | ARG1150 |
A | HOH3155 |
A | HOH3190 |
site_id | AC5 |
Number of Residues | 22 |
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 | HOH3047 |
B | HOH3184 |
B | HOH3185 |
B | HOH3186 |
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 | HOH3047 |
site_id | AC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE CA B 2003 |
Chain | Residue |
B | ASP1004 |
B | HIS1055 |
B | ASP1058 |
B | ILE1060 |
B | HOH3153 |
site_id | AC8 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE TPP C 2001 |
Chain | Residue |
D | PHE980 |
C | ARG540 |
C | SER604 |
C | HIS605 |
C | LEU606 |
C | GLY644 |
C | ASP645 |
C | ALA646 |
C | ALA647 |
C | ASN678 |
C | ILE680 |
C | GLY681 |
C | HIS747 |
C | MG2002 |
C | HOH3049 |
C | HOH3055 |
C | HOH3182 |
C | HOH3183 |
D | GLN901 |
D | LEU950 |
D | GLU952 |
D | GLN976 |
site_id | AC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG C 2002 |
Chain | Residue |
C | ASP645 |
C | ASN678 |
C | ILE680 |
C | TPP2001 |
C | HOH3049 |
site_id | BC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA C 2003 |
Chain | Residue |
C | ASP1004 |
C | HIS1055 |
C | ASP1058 |
C | ILE1060 |
C | HOH3146 |
C | HOH3147 |
site_id | BC2 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE ACO C 2004 |
Chain | Residue |
C | THR1038 |
C | ARG1054 |
C | ASP1058 |
C | ILE1060 |
C | LYS1089 |
C | SER1092 |
C | GLN1142 |
C | PRO1145 |
C | PRO1147 |
C | ARG1148 |
C | ARG1149 |
C | ARG1150 |
C | HOH3144 |
site_id | BC3 |
Number of Residues | 22 |
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 | HOH3050 |
D | HOH3181 |
D | HOH3182 |
D | HOH3183 |
site_id | BC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG D 2002 |
Chain | Residue |
D | ASP645 |
D | ASN678 |
D | ILE680 |
D | TPP2001 |
D | HOH3050 |
site_id | BC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE CA D 2003 |
Chain | Residue |
D | ASP1004 |
D | HIS1055 |
D | ASP1058 |
D | ILE1060 |
site_id | BC6 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE ACO D 2004 |
Chain | Residue |
D | THR1038 |
D | ARG1054 |
D | ASP1058 |
D | ILE1060 |
D | LYS1089 |
D | SER1092 |
D | GLN1142 |
D | PRO1145 |
D | PRO1147 |
D | ARG1148 |
D | ARG1149 |
D | ARG1150 |
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 |