1K8C
Crystal structure of dimeric xylose reductase in complex with NADP(H)
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004032 | molecular_function | aldose reductase (NADPH) activity |
A | 0005829 | cellular_component | cytosol |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0032866 | molecular_function | D-xylose reductase (NADPH) activity |
A | 0042732 | biological_process | D-xylose metabolic process |
A | 0042843 | biological_process | D-xylose catabolic process |
B | 0004032 | molecular_function | aldose reductase (NADPH) activity |
B | 0005829 | cellular_component | cytosol |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0032866 | molecular_function | D-xylose reductase (NADPH) activity |
B | 0042732 | biological_process | D-xylose metabolic process |
B | 0042843 | biological_process | D-xylose catabolic process |
C | 0004032 | molecular_function | aldose reductase (NADPH) activity |
C | 0005829 | cellular_component | cytosol |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0032866 | molecular_function | D-xylose reductase (NADPH) activity |
C | 0042732 | biological_process | D-xylose metabolic process |
C | 0042843 | biological_process | D-xylose catabolic process |
D | 0004032 | molecular_function | aldose reductase (NADPH) activity |
D | 0005829 | cellular_component | cytosol |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0032866 | molecular_function | D-xylose reductase (NADPH) activity |
D | 0042732 | biological_process | D-xylose metabolic process |
D | 0042843 | biological_process | D-xylose catabolic process |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 27 |
Details | BINDING SITE FOR RESIDUE NAP A 1350 |
Chain | Residue |
A | GLY22 |
A | GLN191 |
A | TYR217 |
A | PHE220 |
A | GLN223 |
A | SER224 |
A | ALA257 |
A | ILE272 |
A | PRO273 |
A | LYS274 |
A | SER275 |
A | CYS23 |
A | ASN276 |
A | ARG280 |
A | GLN283 |
A | ASN284 |
A | ASN310 |
A | HOH1378 |
A | HOH1514 |
A | HOH1519 |
A | TRP24 |
A | ASP47 |
A | TYR52 |
A | LYS81 |
A | HIS114 |
A | SER169 |
A | ASN170 |
site_id | AC2 |
Number of Residues | 33 |
Details | BINDING SITE FOR RESIDUE NAP B 2350 |
Chain | Residue |
B | GLY22 |
B | CYS23 |
B | TRP24 |
B | ASP47 |
B | TYR52 |
B | LYS81 |
B | HIS114 |
B | SER169 |
B | ASN170 |
B | GLN191 |
B | TYR217 |
B | SER218 |
B | SER219 |
B | PHE220 |
B | GLN223 |
B | SER224 |
B | GLU227 |
B | PHE240 |
B | ALA257 |
B | ILE272 |
B | PRO273 |
B | LYS274 |
B | SER275 |
B | ASN276 |
B | ARG280 |
B | ASN284 |
B | ASN310 |
B | HOH2365 |
B | HOH2376 |
B | HOH2405 |
B | HOH2499 |
B | HOH2518 |
B | HOH2522 |
site_id | AC3 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE NAP C 3350 |
Chain | Residue |
C | GLY22 |
C | CYS23 |
C | TRP24 |
C | ASP47 |
C | TYR52 |
C | LYS81 |
C | HIS114 |
C | SER169 |
C | ASN170 |
C | GLN191 |
C | TYR217 |
C | SER218 |
C | SER219 |
C | PHE220 |
C | GLN223 |
C | SER224 |
C | GLU227 |
C | PHE240 |
C | ALA257 |
C | ILE272 |
C | LYS274 |
C | SER275 |
C | ASN276 |
C | ARG280 |
C | ASN284 |
C | ASN310 |
C | HOH3363 |
C | HOH3369 |
C | HOH3370 |
C | HOH3510 |
C | HOH3545 |
site_id | AC4 |
Number of Residues | 28 |
Details | BINDING SITE FOR RESIDUE NAP D 4350 |
Chain | Residue |
D | ASN170 |
D | GLN191 |
D | TYR217 |
D | PHE220 |
D | SER224 |
D | ALA257 |
D | ILE272 |
D | PRO273 |
D | LYS274 |
D | SER275 |
D | ASN276 |
D | LEU277 |
D | ARG280 |
D | GLN283 |
D | ASN284 |
D | ASN310 |
D | HOH4383 |
D | HOH4456 |
D | HOH4476 |
D | HOH4477 |
D | GLY22 |
D | CYS23 |
D | TRP24 |
D | ASP47 |
D | TYR52 |
D | LYS81 |
D | HIS114 |
D | SER169 |
Functional Information from PROSITE/UniProt
site_id | PS00062 |
Number of Residues | 18 |
Details | ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. LeklvaagkIKSIGVSNF |
Chain | Residue | Details |
A | LEU154-PHE171 |
site_id | PS00063 |
Number of Residues | 16 |
Details | ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. IPKSNLpeRLvQNrSF |
Chain | Residue | Details |
A | ILE272-PHE287 |
site_id | PS00798 |
Number of Residues | 18 |
Details | ALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GYRLFDGAedygnEkeVG |
Chain | Residue | Details |
A | GLY42-GLY59 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | ACT_SITE: Proton donor |
Chain | Residue | Details |
A | TYR52 | |
B | TYR52 | |
C | TYR52 | |
D | TYR52 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | HIS114 | |
B | HIS114 | |
C | HIS114 | |
D | HIS114 |
site_id | SWS_FT_FI3 |
Number of Residues | 12 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12733986, ECO:0000269|PubMed:15320875, ECO:0000269|PubMed:16336198 |
Chain | Residue | Details |
A | SER169 | |
D | SER169 | |
D | SER218 | |
D | LYS274 | |
A | SER218 | |
A | LYS274 | |
B | SER169 | |
B | SER218 | |
B | LYS274 | |
C | SER169 | |
C | SER218 | |
C | LYS274 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | SITE: Lowers pKa of active site Tyr => ECO:0000250 |
Chain | Residue | Details |
A | LYS81 | |
B | LYS81 | |
C | LYS81 | |
D | LYS81 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1mrq |
Chain | Residue | Details |
A | LYS81 | |
A | ASP47 | |
A | HIS114 | |
A | TYR52 |
site_id | CSA2 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1mrq |
Chain | Residue | Details |
B | LYS81 | |
B | ASP47 | |
B | HIS114 | |
B | TYR52 |
site_id | CSA3 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1mrq |
Chain | Residue | Details |
C | LYS81 | |
C | ASP47 | |
C | HIS114 | |
C | TYR52 |
site_id | CSA4 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1mrq |
Chain | Residue | Details |
D | LYS81 | |
D | ASP47 | |
D | HIS114 | |
D | TYR52 |
site_id | CSA5 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1mrq |
Chain | Residue | Details |
A | LYS81 | |
A | TYR52 |
site_id | CSA6 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1mrq |
Chain | Residue | Details |
B | LYS81 | |
B | TYR52 |
site_id | CSA7 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1mrq |
Chain | Residue | Details |
C | LYS81 | |
C | TYR52 |
site_id | CSA8 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1mrq |
Chain | Residue | Details |
D | LYS81 | |
D | TYR52 |