Structure of PDB 6ym1 Chain A Binding Site BS01

Receptor Information
>6ym1 Chain A (length=298) Species: 83331 (Mycobacterium tuberculosis CDC1551) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YLAVIKVVGIGGGGVNAVNRMIEQGLKGVEFIAINTDAQALLMSDADVKL
DVGRDSGADPEVGRKAAEDAKDEIEELLRGADMVFVTAGEGGGTGTGGAP
VVASIARKLGALTVGVVTRPFSFEGKRRSNQAENGIAALRESCDTLIVIP
NDRLLQMGDVSLMDAFRSADEVLLNGVQGITDLITTPGLINVDFADVKGI
MSGAGTALMGIGSARGEGRSLKAAEIAINSPLLEASMEGAQGVLMSIAGG
SDLGLFEINEAASLVQDAAHPDANIIFGTVIDDSLGDEVRVTVIAAGF
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 chain6ym1 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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PDB6ym1 Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G17 G18 G19 N22 G101 G104 G105 T106 G107 P132 E136 R140 F180 D184
Binding residue
(residue number reindexed from 1)		G11 G12 G13 N16 G89 G92 G93 T94 G95 P120 E124 R128 F166 D170
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:6ym1, PDBe:6ym1, PDBj:6ym1
PDBsum6ym1
PubMed34023403
UniProtP9WN95|FTSZ_MYCTU Cell division protein FtsZ (Gene Name=ftsZ)

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