Structure of PDB 4xcq Chain A Binding Site BS01

Receptor Information
>4xcq Chain A (length=303) Species: 12336 (Clostridium phage c-st) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKNKIVFAPIGQGGGNIVDTLLGICGDYNALFINTSKKDLDSLKHAKHT
YHIPYAEGCGKERKKAVGYAQTYYKQIIAQIMEKFSSCDIVIFVATMAGG
TGSGITPPILGLAKQMYPNKHFGFVGVLPKATEDIDEHMNAIACWNDIMR
STNEGKDISIYLLDNNKREKESDINKEFATLFNDFMNMSEGVVDEDEISK
LLTMKKSNVILEFDDKEDIQVALAKSLKESIFAEYTTNTCEFMGISTTRV
VDVEAIKSIVGYPRRTFKGYNSKKNIVVATGIEPQKTTVQMMNEIIEDKM
KQR
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain4xcq Chain A Residue 401 [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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PDB4xcq Structure of phage c-st truncated TubZ at 2.4 Angstroms resolution
Resolution2.39 Å
Binding residue
(original residue number in PDB)		G11 Q12 G13 N16 T95 A97 G98 G99 G101 E132 N164 E170 I173 N174
Binding residue
(residue number reindexed from 1)		G12 Q13 G14 N17 T96 A98 G99 G100 G102 E133 N165 E171 I174 N175
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Biological Process
GO:0007017 microtubule-based process
Cellular Component
GO:0005874 microtubule

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4xcq, PDBe:4xcq, PDBj:4xcq
PDBsum4xcq
PubMed
UniProtQ331T7|TUBZ_CBCP Tubulin-like protein TubZ (Gene Name=tubZ)

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