Structure of PDB 2www Chain D Binding Site BS01

Receptor Information
>2www Chain D (length=314) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHTEGLSDKEQRFVDKLYTGLIQGQRACLAEAITLVESTHSRKKELAQVL
LQKVLLYHREQEQSNKGKPLAFRVGLSGPPGAGKSTFIEYFGKMLTERGH
KLSVLAVDPSTELSRDMNAYIRPSPTRTTNEAILLCEGAGYDIILIETVG
VGQSEFAVADMVDMFVLLLPPAIKRGIIEMADLVAVTKSDGDLIVPARRI
QAEYVSALKLLRKRSQVWKPKVIRISARSGEGISEMWDKMKDFQDLMLAS
GELTAKRRKQQKVWMWNLIQESVLEHFRTHPTVREQIPLLEQKVLIGALS
PGLAADFLLKAFKS
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 chain2www Chain D Residue 600 [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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PDB2www Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		G153 G155 K156 S157 T158 K290 D292 S328 R330
Binding residue
(residue number reindexed from 1)		G81 G83 K84 S85 T86 K188 D190 S226 R228
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.-.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:2www, PDBe:2www, PDBj:2www
PDBsum2www
PubMed20876572
UniProtQ8IVH4|MMAA_HUMAN Methylmalonic aciduria type A protein, mitochondrial (Gene Name=MMAA)

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