Structure of PDB 4p00 Chain A Binding Site BS10

Receptor Information
>4p00 Chain A (length=728) Species: 272943 (Cereibacter sphaeroides 2.4.1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVPVLLFLLWVALLVPFGLLAAAPVAPSAQGLIALSAVVLVALLKPFADK
MVPRFLLLSAASMLVMRYWFWRLFETLPPPALDASFLFALLLFAVETFSI
SIFFLNGFLSADPTDRPFPRPLQPEELPTVDILVPSYNEPADMLSVTLAA
AKNMIYPARLRTVVLCDDGGTDQRCMSPDPELAQKAQERRRELQQLCREL
GVVYSTRERNEHAKAGNMSAALERLKGELVVVFDADHVPSRDFLARTVGY
FVEDPDLFLVQTPHFFINPDPIQRNLALGDRCPPENEMFYGKIHRGLDRW
GGAFFCGSAAVLRRRALDEAGGFAGETITEDAETALEIHSRGWKSLYIDR
AMIAGLQPETFASFIQQRGRWATGMMQMLLLKNPLFRRGLGIAQRLCYLN
SMSFWFFPLVRMMFLVAPLIYLFFGIEIFVATFEEVLAYMPGYLAVSFLV
QNALFARQRWPLVSEVYEVAQAPYLARAIVTTLLRPRSARFAVTAKDETL
SENYISPIYRPLLFTFLLCLSGVLATLVRWVAFPGDRSVLLVVGGWAVLN
VLLVGFALRAVAEKQQRRAAPRVQMEVPAEAQIPAFGNRSLTATVLDAST
SGVRLLVRLPGVGDPHPALEAGGLIQFQPKFPDAPQLERMVRGRIRSARR
EGGTVMVGVIFEAGQPIAVRETVAYLIFGESAHWRTMREATMRPIGLLHG
MARILWMAAASLPKTARDFMDEPARRRR
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 chain4p00 Chain A Residue 918 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4p00 Mechanism of activation of bacterial cellulose synthase by cyclic di-GMP.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		P147 S148 E151 D180 A225 K226 A247 Q379 R382 F503 V505 T506 K508
Binding residue
(residue number reindexed from 1)		P135 S136 E139 D168 A213 K214 A235 Q367 R370 F491 V493 T494 K496
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.12: cellulose synthase (UDP-forming).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005515 protein binding
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
GO:0016759 cellulose synthase activity
GO:0016760 cellulose synthase (UDP-forming) activity
GO:0035438 cyclic-di-GMP binding
Biological Process
GO:0006011 UDP-glucose metabolic process
GO:0030244 cellulose biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4p00, PDBe:4p00, PDBj:4p00
PDBsum4p00
PubMed24704788
UniProtQ3J125

[Back to BioLiP]