Structure of PDB 2f7s Chain A Binding Site BS01

Receptor Information
>2f7s Chain A (length=179) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYDYLIKLLALGDSGVGKTTFLYRYTDNKFNPKFITTVGIDFREKRVVYN
AGKAFKVHLQLWDTAGQERFRSLTTAFFRDAMGFLLMFDLTSQQSFLNVR
NWMSQLQANAYCENPDIVLIGNKADLPDQREVNERQARELADKYGIPYFE
TSAATGQNVEKAVETLLDLIMKRMEQCVE
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 chain2f7s Chain A Residue 601 [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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PDB2f7s The crystal structure of human Rab27b
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S18 G19 G21 K22 T23 T24 N133 K134 D136 L137 S163 A164 A165
Binding residue
(residue number reindexed from 1)		S14 G15 G17 K18 T19 T20 N122 K123 D125 L126 S152 A153 A154
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q78
Catalytic site (residue number reindexed from 1) Q67
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0003925 G protein activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0019003 GDP binding
GO:0019904 protein domain specific binding
GO:0031489 myosin V binding
Biological Process
GO:0006887 exocytosis
GO:0017157 regulation of exocytosis
GO:0045921 positive regulation of exocytosis
GO:0048488 synaptic vesicle endocytosis
GO:0071985 multivesicular body sorting pathway
GO:0099641 anterograde axonal protein transport
Cellular Component
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005770 late endosome
GO:0005794 Golgi apparatus
GO:0005795 Golgi stack
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0030140 trans-Golgi network transport vesicle
GO:0030141 secretory granule
GO:0030672 synaptic vesicle membrane
GO:0031088 platelet dense granule membrane
GO:0032585 multivesicular body membrane
GO:0042470 melanosome
GO:0042589 zymogen granule membrane
GO:0043231 intracellular membrane-bounded organelle
GO:0070062 extracellular exosome
GO:0070382 exocytic vesicle
GO:1904115 axon cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2f7s, PDBe:2f7s, PDBj:2f7s
PDBsum2f7s
PubMed
UniProtO00194|RB27B_HUMAN Ras-related protein Rab-27B (Gene Name=RAB27B)

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