1KEU
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with dTDP-D-glucose bound
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008460 | molecular_function | dTDP-glucose 4,6-dehydratase activity |
| A | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| A | 0009225 | biological_process | nucleotide-sugar metabolic process |
| A | 0009243 | biological_process | O antigen biosynthetic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
| A | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
| A | 0070404 | molecular_function | NADH binding |
| B | 0008460 | molecular_function | dTDP-glucose 4,6-dehydratase activity |
| B | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| B | 0009225 | biological_process | nucleotide-sugar metabolic process |
| B | 0009243 | biological_process | O antigen biosynthetic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
| B | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
| B | 0070404 | molecular_function | NADH binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE DAU A 2573 |
| Chain | Residue |
| A | SER84 |
| A | LYS206 |
| A | LEU207 |
| A | LEU210 |
| A | PRO222 |
| A | TYR224 |
| A | ARG231 |
| A | ASN266 |
| A | ARG297 |
| A | HIS300 |
| A | TYR357 |
| A | HIS85 |
| A | NAD1400 |
| A | HOH2581 |
| A | HOH2582 |
| A | HOH2601 |
| A | HOH2645 |
| A | VAL86 |
| A | THR133 |
| A | ASP134 |
| A | GLU135 |
| A | TYR167 |
| A | ASN196 |
| A | GLU205 |
| site_id | AC2 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE DAU B 2574 |
| Chain | Residue |
| B | SER84 |
| B | HIS85 |
| B | VAL86 |
| B | THR133 |
| B | ASP134 |
| B | GLU135 |
| B | TYR167 |
| B | ASN196 |
| B | GLU205 |
| B | LYS206 |
| B | LEU207 |
| B | LEU210 |
| B | PRO222 |
| B | TYR224 |
| B | ARG231 |
| B | ASN266 |
| B | ARG297 |
| B | HIS300 |
| B | TYR357 |
| B | NAD1500 |
| B | HOH2576 |
| B | HOH2593 |
| B | HOH2594 |
| B | HOH2631 |
| site_id | AC3 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAD A 1400 |
| Chain | Residue |
| A | ALA9 |
| A | GLY10 |
| A | PHE11 |
| A | ILE12 |
| A | ASP32 |
| A | LYS33 |
| A | LEU34 |
| A | THR35 |
| A | ALA37 |
| A | GLY38 |
| A | ALA57 |
| A | ASP58 |
| A | ILE59 |
| A | LEU80 |
| A | ALA81 |
| A | ALA82 |
| A | SER84 |
| A | THR99 |
| A | ILE131 |
| A | SER132 |
| A | THR133 |
| A | TYR167 |
| A | LYS171 |
| A | CYS194 |
| A | SER195 |
| A | ASN196 |
| A | ASN197 |
| A | DAU2573 |
| A | HOH2589 |
| A | HOH2606 |
| A | HOH2617 |
| A | HOH2620 |
| A | HOH2622 |
| A | HOH2625 |
| A | HOH2644 |
| site_id | AC4 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAD B 1500 |
| Chain | Residue |
| B | SER84 |
| B | THR99 |
| B | ILE131 |
| B | SER132 |
| B | TYR167 |
| B | LYS171 |
| B | CYS194 |
| B | SER195 |
| B | ASN196 |
| B | ASN197 |
| B | DAU2574 |
| B | HOH2581 |
| B | HOH2583 |
| B | HOH2586 |
| B | HOH2589 |
| B | HOH2614 |
| B | HOH2617 |
| B | HOH2636 |
| B | HOH2637 |
| B | ALA9 |
| B | GLY10 |
| B | PHE11 |
| B | ILE12 |
| B | ASP32 |
| B | LYS33 |
| B | LEU34 |
| B | THR35 |
| B | ALA37 |
| B | GLY38 |
| B | ALA57 |
| B | ASP58 |
| B | ILE59 |
| B | LEU80 |
| B | ALA81 |
| B | ALA82 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. LftettayapSspYSASKASSdHLVrAWR |
| Chain | Residue | Details |
| A | LEU154-ARG182 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:11796113, ECO:0007744|PDB:1KEU |
| Chain | Residue | Details |
| A | ASP134 | |
| B | ASP134 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:P27830 |
| Chain | Residue | Details |
| A | GLU135 | |
| B | GLU135 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:11796113, ECO:0007744|PDB:1KEU |
| Chain | Residue | Details |
| A | TYR167 | |
| B | TYR167 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11243820, ECO:0000269|PubMed:11796113, ECO:0007744|PDB:1G1A, ECO:0007744|PDB:1KEU, ECO:0007744|PDB:1KEW |
| Chain | Residue | Details |
| A | PHE11 | |
| B | ASN197 | |
| A | ASP32 | |
| A | ASP58 | |
| A | TYR167 | |
| A | ASN197 | |
| B | PHE11 | |
| B | ASP32 | |
| B | ASP58 | |
| B | TYR167 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11796113, ECO:0000305|PubMed:11243820, ECO:0007744|PDB:1G1A, ECO:0007744|PDB:1KEU, ECO:0007744|PDB:1KEW |
| Chain | Residue | Details |
| A | LEU80 | |
| B | LEU80 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 18 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11796113, ECO:0007744|PDB:1KEU |
| Chain | Residue | Details |
| A | SER84 | |
| B | SER84 | |
| B | THR133 | |
| B | ASN196 | |
| B | LYS206 | |
| B | PRO222 | |
| B | ARG231 | |
| B | ASN266 | |
| B | ASP296 | |
| B | TYR357 | |
| A | THR133 | |
| A | ASN196 | |
| A | LYS206 | |
| A | PRO222 | |
| A | ARG231 | |
| A | ASN266 | |
| A | ASP296 | |
| A | TYR357 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11243820, ECO:0000269|PubMed:11796113, ECO:0007744|PDB:1G1A |
| Chain | Residue | Details |
| A | THR99 | |
| B | THR99 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| A | THR133 | |
| A | TYR167 | |
| A | LYS171 |
| site_id | CSA10 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| B | TYR167 | |
| B | LYS171 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| B | THR133 | |
| B | TYR167 | |
| B | LYS171 |
| site_id | CSA3 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| A | GLU135 | |
| A | THR133 | |
| A | TYR167 | |
| A | LYS171 |
| site_id | CSA4 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| B | GLU135 | |
| B | THR133 | |
| B | TYR167 | |
| B | LYS171 |
| site_id | CSA5 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| A | ASN100 | |
| A | THR133 | |
| A | TYR167 | |
| A | LYS171 |
| site_id | CSA6 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| B | ASN100 | |
| B | THR133 | |
| B | TYR167 | |
| B | LYS171 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| A | SER164 | |
| A | LYS171 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| B | SER164 | |
| B | LYS171 |
| site_id | CSA9 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1db3 |
| Chain | Residue | Details |
| A | TYR167 | |
| A | LYS171 |
