Structure of PDB 5zue Chain A Binding Site BS01

Receptor Information
>5zue Chain A (length=309) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHNYLAVIKVVGIGGGGVNAVNRMIEQGLKGVEFIAINTDAQALLMSDAD
VKLDVGRDSTRGLGAGADPEVGRKAAEDAKDEIEELLRGADMVLVTAGEG
GGTGTGGAPVVASIARKLGALTVGVVTRPFSFEGKRRSNQAENGIAALRE
SCDTLIVIPNDRLLQMGDAAVSLMDAFRSADEVLLNGVQGITDLITTPGL
INVDFADVKGIMSGAGTALMGIGSARGEGRSLKAAEIAINSPLLEASMEG
AQGVLMSIAGGSDLGLFEINEAASLVQDAAHPDANIIFGTVIDDSLGDEV
RVTVIAAGF
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain5zue 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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PDB5zue Lateral interactions between protofilaments of the bacterial tubulin homolog FtsZ are essential for cell division
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G17 G18 G19 N22 A68 G101 G104 G105 T106 G107 P132 E136 R140 D184
Binding residue
(residue number reindexed from 1)		G14 G15 G16 N19 A65 G98 G101 G102 T103 G104 P129 E133 R137 D181
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:5zue, PDBe:5zue, PDBj:5zue
PDBsum5zue
PubMed29889022
UniProtP9WN95|FTSZ_MYCTU Cell division protein FtsZ (Gene Name=ftsZ)

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