Structure of PDB 2z86 Chain B Binding Site BS01

Receptor Information
>2z86 Chain B (length=601) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAVIDIDAATKIMCSNAKAISLNEVEKNEIISKYREITAKKSERAELKEV
EPIPLDWPSDLTLPPLPESTNDYVWAGKRKKQLIIDGLSIVIPTYNRAKI
LAITLACLCNQKTIYDYEVIVADDGSKENIEEIVREFESLLNIKYVRQKD
YGYQLCAVRNLGLRAAKYNYVAILDCDMAPNPLWVQSYMELLAVDDNVAL
IGPRKYIDTSKHTYLDFLSQKSLINEIPEIITNNKSVDWRIEHFKNTDNL
RLCNTPFRFFSGGNVAFAKKWLFRAGWFDEEFTHWGGEDNEFGYRLYREG
CYFRSVEGAMAYHQEPPGKENENITVQLLQQKVPYFYRKKEKIESATLKR
VPLVSIYIPAYNCSKYIVRCVESALNQTITDLEVCICDDGSTDDTLRILQ
EHYANHPRVRFISQKNKGIGSASNTAVRLCRGFYIGQLDSDDFLEPDAVE
LCLDEFRKDLSLACVYTTNRNIDREGNLISNGYNWPIYSREKLTSAMICH
HFRMFTARAWNLTEGFNESISNAVDYDMYLKLSEVGPFKHINKICYNRVL
HGNTSIKKLDIQKENHFKVVNESLSRLGIKKYKYSPLTNLNECRKYTWEK
I
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 chain2z86 Chain B Residue 1 [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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PDB2z86 Crystal structure of chondroitin polymerase from Escherichia coli K4.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		P157 T158 Y159 R161 D188 Y217 D239
Binding residue
(residue number reindexed from 1)		P93 T94 Y95 R97 D124 Y153 D175
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.175: glucuronosyl-N-acetylgalactosaminyl-proteoglycan 4-beta-N- acetylgalactosaminyltransferase.
2.4.1.226: N-acetylgalactosaminyl-proteoglycan 3-beta-glucuronosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
GO:0047238 glucuronosyl-N-acetylgalactosaminyl-proteoglycan 4-beta-N-acetylgalactosaminyltransferase activity
GO:0050510 N-acetylgalactosaminyl-proteoglycan 3-beta-glucuronosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:2z86, PDBe:2z86, PDBj:2z86
PDBsum2z86
PubMed18771653
UniProtQ8L0V4|CHS_ECOLX Chondroitin synthase (Gene Name=kfoC)

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