Structure of PDB 4kwe Chain C Binding Site BS01

Receptor Information
>4kwe Chain C (length=295) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAVIKVVGIGGGGVNAVNRMIEQGLKGVEFIAINTDAQALLMSDADVKLD
VGADPEVGRKAAEDAKDEIEELLRGADMVFVTAGEGGGTGTGGAPVVASI
ARKLGALTVGVVTRPFSFEGKRRSNQAENGIAALRESCDTLIVIPNDRLL
QMGDAAVSLMDAFRSADEVLLNGVQGITDLITTPGLINVDFADVKGIMSG
AGTALMGIGSARGEGRSLKAAEIAINSPLLEASMEGAQGVLMSIAGGSDL
GLFEINEAASLVQDAAHPDANIIFGTVIDDSLGDEVRVTVIAAGF
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 chain4kwe Chain C Residue 1000 [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]
PDB4kwe FtsZ protofilaments use a hinge-opening mechanism for constrictive force generation
Resolution2.91 Å
Binding residue
(original residue number in PDB)		G17 G18 G19 N22 G101 G104 G105 T106 G107 E136 R140 F180 A183 D184
Binding residue
(residue number reindexed from 1)		G10 G11 G12 N15 G84 G87 G88 T89 G90 E119 R123 F163 A166 D167
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
Biological Process
GO:0000917 division septum assembly
GO:0000921 septin ring assembly
GO:0043093 FtsZ-dependent cytokinesis
GO:0045787 positive regulation of cell cycle
GO:0051258 protein polymerization
GO:0051301 cell division
GO:0090529 cell septum assembly
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0032153 cell division site

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4kwe, PDBe:4kwe, PDBj:4kwe
PDBsum4kwe
PubMed23888039
UniProtP9WN95|FTSZ_MYCTU Cell division protein FtsZ (Gene Name=ftsZ)

[Back to BioLiP]