Structure of PDB 6gqw Chain B

Receptor sequence

>6gqwB (length=169) Species: 9606 (Homo sapiens)

YFQGMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVI
DGETCLLDILDTAGHESAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYRE
QIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKT
RQGVDDAFYTLVREIRKHK

3D structure

• PDB: 6gqw Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
• Chain: B
• Resolution: 2.8 Å

Enzymatic activity

• Enzyme Commision number: 3.6.5.2: small monomeric GTPase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MG	B	S17 T35	S21 T39
BS02	GNP	B	G13 G15 K16 S17 A18 F28 V29 D30 Y32 P34 T35 G60 N116 K117 D119 L120 S145 A146	G17 G19 K20 S21 A22 F32 V33 D34 Y36 P38 T39 G64 N118 K119 D121 L122 S147 A148
BS03	F8T	B	V7 S39 Y40 R41 D54 L56 Y71 T74	V11 S43 Y44 R45 D58 L60 Y73 T76

Gene Ontology

Molecular Function

• GO:0003924 GTPase activity
• GO:0005525 GTP binding

Biological Process

• GO:0007165 signal transduction

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6gqw, PDBe:6gqw, PDBj:6gqw
• PDBsum: 6gqw
• PubMed: 30683716
• UniProt: P01116|RASK_HUMAN GTPase KRas (Gene Name=KRAS)