Structure of PDB 1yb5 Chain A Binding Site BS01

Receptor Information
>1yb5 Chain A (length=324) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIR
SGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAE
YALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVH
GASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNY
IDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEIN
PRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPL
EKVAEAHENIIHGSGATGKMILLL
Ligand information
Ligand IDNAP
InChIInChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyXJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
FormulaC21 H28 N7 O17 P3
NameNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
ChEMBLCHEMBL295069
DrugBankDB03461
ZINC
PDB chain1yb5 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1yb5 Crystal Structure of human Zeta-Crystallin at 1.85A
Resolution1.85 Å
Binding residue
(original residue number in PDB)		P49 Y53 I131 T135 H155 G156 S158 G159 G160 V161 A180 G181 H200 L225 N229 V246 T270 G320 A321
Binding residue
(residue number reindexed from 1)		P44 Y48 I126 T130 H150 G151 S153 G154 G155 V156 A175 G176 H195 L220 N224 V241 T265 G315 A316
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N48 P49 V50 Y53 S71 D72 I131 K324
Catalytic site (residue number reindexed from 1) N43 P44 V45 Y48 S66 D67 I126 K319
Enzyme Commision number 1.6.5.5: NADPH:quinone reductase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003730 mRNA 3'-UTR binding
GO:0003824 catalytic activity
GO:0003960 NADPH:quinone reductase activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0070402 NADPH binding
GO:0070404 NADH binding
Biological Process
GO:0007601 visual perception
GO:0042178 xenobiotic catabolic process
GO:0051289 protein homotetramerization
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1yb5, PDBe:1yb5, PDBj:1yb5
PDBsum1yb5
PubMed
UniProtQ08257|QOR_HUMAN Quinone oxidoreductase (Gene Name=CRYZ)

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