Structure of PDB 4ei9 Chain A Binding Site BS01

Receptor Information
>4ei9 Chain A (length=382) Species: 222523 (Bacillus cereus ATCC 10987) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNFSEIESQGNISLKFGFLGLGMGGCAIAAECANKETQIKNNKYPYRAIL
VNTNSQDFNKIEIKNTGNVRKIQLEGYEQGAARNPQVGEEAFVKHETKIF
EAVKQEFEDRDFIWITCGLGGGTGTGALLKAIEMLYEHDYNFGLLLTLPR
DAEALKVLENATSRIRSIAMNQEAFGSIVLIDNAKLYRKFEEENPSALAN
EYTSYSNKYIADALHEINLVTSSFTPFSDTHFDASEFAQVINTPGVLSLA
KLELKSNQLDTENPLGYLTQLGNALEKGVLYDTEREELESAKKSALSIVT
SPLRAGRLYNFSFLNQMENFLKERTPYVDERPIAPYVNKHTTKKEEDIVK
FYSVVAGLPLPKRVSDIIDEITRIKEEREQAN
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 chain4ei9 Chain A Residue 500 [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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PDB4ei9 Filament formation of the FtsZ/tubulin-like protein TubZ from the Bacillus cereus pXO1 plasmid.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		G24 M25 G26 G120 G123 E155 N185 N209
Binding residue
(residue number reindexed from 1)		G22 M23 G24 G118 G121 E153 N183 N207
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:4ei9, PDBe:4ei9, PDBj:4ei9
PDBsum4ei9
PubMed22847006
UniProtQ74P24|TUBZ_BACC1 Tubulin-like protein TubZ (Gene Name=tubZ)

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