Structure of PDB 8t71 Chain B Binding Site BS01

Receptor Information

>8t71 Chain B (length=168) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTEYKLVVVGAGGVGKSALTIQLIQNHFEYDPTIEDSYRKQVVIDGETCL
LDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKR
VKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRV
EDAFYTLVREIRQYRLKK

Ligand information

Ligand ID

GDP

InChI

InChI=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

InChIKey

QGWNDRXFNXRZMB-UUOKFMHZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385	NC1=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 3.385	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6	c1nc2c(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

Formula

C10 H15 N5 O11 P2

Name

GUANOSINE-5'-DIPHOSPHATE

PDB chain

8t71 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8t71 Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties
Resolution	1.8 Å
Binding residue (original residue number in PDB)	G13 V14 G15 K16 S17 A18 N116 K117 D119 S145 A146 K147
Binding residue (residue number reindexed from 1)	G13 V14 G15 K16 S17 A18 N114 K115 D117 S143 A144 K145
Annotation score	4

Enzymatic activity

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:0043495	protein-membrane adaptor activity
GO:0044877	protein-containing complex binding

	Biological Process
GO:0000165	MAPK cascade
GO:0001934	positive regulation of protein phosphorylation
GO:0007165	signal transduction
GO:0007265	Ras protein signal transduction
GO:0008283	cell population proliferation
GO:0008542	visual learning
GO:0010467	gene expression
GO:0010628	positive regulation of gene expression
GO:0014009	glial cell proliferation
GO:0016601	Rac protein signal transduction
GO:0021897	forebrain astrocyte development
GO:0030036	actin cytoskeleton organization
GO:0030857	negative regulation of epithelial cell differentiation
GO:0032228	regulation of synaptic transmission, GABAergic
GO:0035022	positive regulation of Rac protein signal transduction
GO:0035914	skeletal muscle cell differentiation
GO:0043524	negative regulation of neuron apoptotic process
GO:0048169	regulation of long-term neuronal synaptic plasticity
GO:0048873	homeostasis of number of cells within a tissue
GO:0051146	striated muscle cell differentiation
GO:0051402	neuron apoptotic process
GO:0060252	positive regulation of glial cell proliferation
GO:0060441	epithelial tube branching involved in lung morphogenesis
GO:0060509	type I pneumocyte differentiation

	Cellular Component
GO:0000139	Golgi membrane
GO:0005737	cytoplasm
GO:0005741	mitochondrial outer membrane
GO:0005789	endoplasmic reticulum membrane
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0005925	focal adhesion
GO:0009898	cytoplasmic side of plasma membrane
GO:0012505	endomembrane system
GO:0016020	membrane

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:8t71, PDBe:8t71, PDBj:8t71
PDBsum	8t71
PubMed	38354232
UniProt	P01116\|RASK_HUMAN GTPase KRas (Gene Name=KRAS)

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