Structure of PDB 6hjh Chain A Binding Site BS01

Receptor Information
>6hjh Chain A (length=190) Species: 34 (Myxococcus xanthus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FINYSSREINCKIVYYGPGLCGKTTNLQYIYNKTAAETKGKLISLSTETD
RTLFFDFLPLSLGEIRGFKTRFHLYTVPGQVFYDASRKLILKGVDGVVFV
ADSQIERMEANMESLENLRINLAEQGYDLNKIPYVIQYNKRDLPNAVTVE
EMRKALNHRNIPEYQAVAPTGVGVFDTLKAVAKLVLTELK
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 chain6hjh Chain A Residue 200 [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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PDB6hjh MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		L22 C23 G24 K25 T26 T27 G81 N141 K142 D144 V169 A170 P171
Binding residue
(residue number reindexed from 1)		L20 C21 G22 K23 T24 T25 G79 N139 K140 D142 V167 A168 P169
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
Biological Process
GO:0032880 regulation of protein localization
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6hjh, PDBe:6hjh, PDBj:6hjh
PDBsum6hjh
PubMed31757955
UniProtQ1DB04|MGLA_MYXXD Mutual gliding-motility protein MglA (Gene Name=mglA)

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