Structure of PDB 3bh6 Chain B Binding Site BS01

Receptor Information
>3bh6 Chain B (length=314) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKDYMFSGLKDETVGRLPGTVAGQQFLIQDCENCNIYIFDHSATVTIDDC
TNCIIFLGPVKGSVFFRNCRDCKCTLACQQFRVRDCRKLEVFLCCATQPI
IESSSNIKFGCFQWYYPELAFQFKDAGLSIFNNTWSNIHDFTPVSGELNW
SLLPEDAVVQDYVPIPTTEELKAVRVSTEANRSIVPISRGQRQKSSDESC
LVVLFAGDYTIANARKLIDEMVGKGFFLVQTKEVSMKAEDAQRVFREKAP
DFLPLLNKGPVIALEFNGDGAVEVCQLIVNEIFNGTKMFVSESKETASGD
VDSFYNFADIQMGI
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain3bh6 Chain A Residue 1 [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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PDB3bh6 The retinitis pigmentosa 2 gene product is a GTPase-activating protein for Arf-like 3
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G98 S99 Q115 Q116 R118
Binding residue
(residue number reindexed from 1)		G62 S63 Q79 Q80 R82
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005096 GTPase activator activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0051082 unfolded protein binding
Biological Process
GO:0006457 protein folding
GO:0006892 post-Golgi vesicle-mediated transport
GO:0007023 post-chaperonin tubulin folding pathway
GO:0007601 visual perception
GO:0015031 protein transport
GO:0060271 cilium assembly
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005814 centriole
GO:0005886 plasma membrane
GO:0005929 cilium
GO:0016604 nuclear body
GO:0031410 cytoplasmic vesicle
GO:0036064 ciliary basal body
GO:0070062 extracellular exosome
GO:1990075 periciliary membrane compartment

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3bh6, PDBe:3bh6, PDBj:3bh6
PDBsum3bh6
PubMed18376416
UniProtO75695|XRP2_HUMAN Protein XRP2 (Gene Name=RP2)

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