Structure of PDB 1z2c Chain C Binding Site BS02

Receptor Information
>1z2c Chain C (length=179) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAAIRKKLVIVGDGACGKTCLLIVNSKDQFPEVYVPTVFENYIADIEVDG
KQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWT
PEVKHFCPNVPIILVGNKKDLRQDEHTRRELAKMKQEPVRSEEGRDMANR
ISAFGYLECSAKTKEGVREVFEMATRAGL
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 chain1z2c Chain C Residue 195 [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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PDB1z2c Structural and mechanistic insights into the interaction between Rho and mammalian Dia.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		A15 C16 G17 K18 T19 C20 F30 Y34 P36 T37 G62 K118 D120 L121 S160 K162
Binding residue
(residue number reindexed from 1)		A15 C16 G17 K18 T19 C20 F30 Y34 P36 T37 G62 K118 D120 L121 S160 K162
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019901 protein kinase binding
Biological Process
GO:0000281 mitotic cytokinesis
GO:0007015 actin filament organization
GO:0007165 signal transduction
GO:0007264 small GTPase-mediated signal transduction
GO:0030335 positive regulation of cell migration
GO:0031334 positive regulation of protein-containing complex assembly
GO:0032956 regulation of actin cytoskeleton organization
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0043297 apical junction assembly
GO:0044319 wound healing, spreading of cells
GO:0051496 positive regulation of stress fiber assembly
GO:0060193 positive regulation of lipase activity
GO:1902766 skeletal muscle satellite cell migration
Cellular Component
GO:0005634 nucleus
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0032154 cleavage furrow
GO:0032420 stereocilium
GO:0070062 extracellular exosome

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1z2c, PDBe:1z2c, PDBj:1z2c
PDBsum1z2c
PubMed15864301
UniProtP08134|RHOC_HUMAN Rho-related GTP-binding protein RhoC (Gene Name=RHOC)

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