Structure of PDB 4irq Chain C Binding Site BS02

Receptor Information
>4irq Chain C (length=249) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIPEHWEEDASWGPHRLAVLVPFRERFEELLVFVPHMRRFLSRKKIRHHI
YVLNQVDHFRFNRAALINVGFLESSNSTDYIAMHDVDLLPLNEELDYGFP
EAGPFHVASPELHPLYHYKTYVGGILLLSKQHYRLCNGMSNRFWGWGRED
DEFYRRIKGAGLQLFRPSGITTGYKTFRHLHDPAWRKRDQKRIAAQKQEQ
FKVDREGGLNTVKYHVASRTALSVGGAPCTVLNIMLDCDKTATPWCTFS
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain4irq Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4irq Crystal structures of beta-1,4-galactosyltransferase 7 enzyme reveal conformational changes and substrate binding.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P100 F101 R102 R104 F139 D163 V164 D165 Y194 H257 H259 R266
Binding residue
(residue number reindexed from 1)		P22 F23 R24 R26 F61 D85 V86 D87 Y116 H179 H181 R188
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D163 D165 W224 E227 D228 T254 H257 H259
Catalytic site (residue number reindexed from 1) D85 D87 W146 E149 D150 T176 H179 H181
Enzyme Commision number 2.4.1.-
2.4.1.133: xylosylprotein 4-beta-galactosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4irq, PDBe:4irq, PDBj:4irq
PDBsum4irq
PubMed24052259
UniProtQ9UBV7|B4GT7_HUMAN Beta-1,4-galactosyltransferase 7 (Gene Name=B4GALT7)

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