1KEW
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000271 | biological_process | polysaccharide biosynthetic process |
| 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 | 0070404 | molecular_function | NADH binding |
| B | 0000271 | biological_process | polysaccharide biosynthetic process |
| 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 | 0070404 | molecular_function | NADH binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE TYD A 2600 |
| Chain | Residue |
| A | HIS85 |
| A | TYR224 |
| A | ARG231 |
| A | ASN266 |
| A | ARG297 |
| A | HIS300 |
| A | TYR357 |
| A | HOH2604 |
| A | HOH2615 |
| A | HOH2624 |
| A | HOH2636 |
| A | VAL86 |
| A | HOH2741 |
| A | GLU135 |
| A | ASN196 |
| A | GLU205 |
| A | LYS206 |
| A | LEU207 |
| A | LEU210 |
| A | PRO222 |
| site_id | AC2 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE TYD B 2700 |
| Chain | Residue |
| B | HIS85 |
| B | VAL86 |
| B | GLU135 |
| 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 | HOH2708 |
| B | HOH2712 |
| B | HOH2723 |
| B | HOH2726 |
| B | HOH2826 |
| site_id | AC3 |
| Number of Residues | 36 |
| 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 | HOH2601 |
| A | HOH2611 |
| A | HOH2613 |
| A | HOH2627 |
| A | HOH2628 |
| A | HOH2633 |
| A | HOH2639 |
| A | HOH2645 |
| A | HOH2674 |
| site_id | AC4 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE NAD B 1500 |
| Chain | Residue |
| B | CYS194 |
| B | SER195 |
| B | ASN196 |
| B | ASN197 |
| B | HOH2702 |
| B | HOH2714 |
| B | HOH2715 |
| B | HOH2720 |
| B | HOH2728 |
| B | HOH2736 |
| B | HOH2747 |
| B | HOH2750 |
| B | HOH2761 |
| 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 |
| B | SER84 |
| B | THR99 |
| B | ILE131 |
| B | SER132 |
| B | THR133 |
| B | TYR167 |
| B | LYS171 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 1473 |
| Chain | Residue |
| A | HOH2811 |
| B | ARG288 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1474 |
| Chain | Residue |
| A | ARG179 |
| A | GLY253 |
| A | GLU254 |
| A | THR255 |
| A | LYS310 |
| A | HOH2714 |
| A | HOH2732 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1475 |
| Chain | Residue |
| A | ASN262 |
| A | LYS264 |
| A | THR322 |
| A | PHE323 |
| A | HOH2900 |
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 | Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"11796113","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1KEU","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"UniProtKB","id":"P27830","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"11796113","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1KEU","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 20 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11243820","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11796113","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1G1A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KEU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KEW","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11796113","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11243820","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1G1A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KEU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KEW","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 26 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11796113","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1KEU","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11243820","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11796113","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1G1A","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
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 |
