Structure of PDB 2ffv Chain A Binding Site BS02

Receptor Information
>2ffv Chain A (length=489) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DALKVRWPDFNQEAYVGGPYARNKFNQVESDKLRMDRAIPDTRHDQCQRK
QWRVDLPATSVVITFHNEARSALLRTVVSVLKKSPPHLIKEIILVDDYSN
DPEDGALLGKIEKVRVLRNDRREGLMRSRVRGADAAQAKVLTFLDSHCEC
NEHWLEPLLERVAEDRTRVVSPIIDVINMDNFQYVGASADLKGGFDWNLV
FKWDYMTPEQRRSRQGNPVAPIKTPMIAGGLFVMDKFYFEELGKYDMMMD
VWGGENLEISFRVWQCGGSLEIIPCSRVGHVFRKQHPYTFPGGSGTVFAR
NTRRAAEVWMDEYKNFYYAAVPSARNVPYGNIQSRLELRKKLSCKPFKWY
LENVYPELRVPDHQDIAFGALQQGTNCLDTLGHFADGVVGVYECHNGNQE
WALTKEKSVKHMDLCLTVVDRAPGSLIKLQGCRENDSRQKWEQIEGNSKL
RHVGSNLCLDSRTAKSGGLSVEVCGPALSQQWKFTLNLQ
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 chain2ffv Chain A Residue 5601 [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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PDB2ffv Dynamic Association between the Catalytic and Lectin Domains of Human UDP-GalNAc:Polypeptide {alpha}-N-Acetylgalactosaminyltransferase-2
Resolution2.75 Å
Binding residue
(original residue number in PDB)		T143 F144 D176 R201 G203 L204 S207 D224 H226 V330 R362 H365
Binding residue
(residue number reindexed from 1)		T64 F65 D97 R122 G124 L125 S128 D145 H147 V251 R283 H286
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.41: polypeptide N-acetylgalactosaminyltransferase.
External links
PDB RCSB:2ffv, PDBe:2ffv, PDBj:2ffv
PDBsum2ffv
PubMed16434399
UniProtQ10471|GALT2_HUMAN Polypeptide N-acetylgalactosaminyltransferase 2 (Gene Name=GALNT2)

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