Structure of PDB 6ll6 Chain A Binding Site BS01

Receptor Information
>6ll6 Chain A (length=301) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVIKVIGVGGGGGNAVEHMVRERIEGVEFFAVNTDAQALRKTAVGQTIQI
GSLGAGANPEVGRNAADEDRDALRAALEGADMVFIAAGMGGGTGTGAAPV
VAEVAKDLGILTVAVVTKPFNFEGKKRMAFAEQGITELSKHVDSLITIPN
DKLLKVLGRGISLLDAFGAANDVLKGAVQGIAELITRPGLMNVDFADVRT
VMSEMGYAMMGSGVASGEDRAEEAAEMAISSPLLEDIDLSGARGVLVNIT
AGFDLRLDEFETVGNTIRAFASDNATVVIGTSLDPDMNDELRVTVVATGI
G
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 chain6ll6 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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PDB6ll6 Crystal structures of the cell-division protein FtsZ from Klebsiella pneumoniae and Escherichia coli.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G19 G20 G21 N24 G103 G106 G107 T108 G109 P134 E138 F182 N186
Binding residue
(residue number reindexed from 1)		G9 G10 G11 N14 G88 G91 G92 T93 G94 P119 E123 F167 N171
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:6ll6, PDBe:6ll6, PDBj:6ll6
PDBsum6ll6
PubMed32039890
UniProtP0A9A6|FTSZ_ECOLI Cell division protein FtsZ (Gene Name=ftsZ)

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