6PGO

Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003924	molecular_function	GTPase activity
A	0005525	molecular_function	GTP binding
A	0007165	biological_process	signal transduction
A	0016020	cellular_component	membrane
B	0003924	molecular_function	GTPase activity
B	0005525	molecular_function	GTP binding
B	0007165	biological_process	signal transduction
B	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue MG A 301

Chain	Residue
A	SER17
A	GDP302
A	HOH405
A	HOH408
A	HOH409
A	HOH436

---

site_id	AC2
Number of Residues	27
Details	binding site for residue GDP A 302

Chain	Residue
A	LYS16
A	SER17
A	ALA18
A	PHE28
A	ASP30
A	ASP30
A	GLU31
A	GLU31
A	TYR32
A	ASN116
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	MG301
A	OJ1303
A	HOH408
A	HOH416
A	HOH421
A	HOH426
A	HOH436
A	HOH456
A	GLY13
A	VAL14
A	GLY15

---

site_id	AC3
Number of Residues	18
Details	binding site for residue OJ1 A 303

Chain	Residue
A	VAL9
A	GLY10
A	CYS12
A	LYS16
A	PRO34
A	ALA59
A	GLY60
A	ARG68
A	MET72
A	TYR96
A	GLN99
A	ILE100
A	THR148
A	ARG149
A	GDP302
A	HOH406
A	HOH419
A	HOH436

---

site_id	AC4
Number of Residues	6
Details	binding site for residue MG B 301

Chain	Residue
B	SER17
B	GDP302
B	HOH438
B	HOH439
B	HOH444
B	HOH468

---

site_id	AC5
Number of Residues	24
Details	binding site for residue GDP B 302

Chain	Residue
B	GLY13
B	VAL14
B	GLY15
B	LYS16
B	SER17
B	ALA18
B	PHE28
B	VAL29
B	ASP30
B	GLU31
B	ASN116
B	LYS117
B	ASP119
B	LEU120
B	SER145
B	ALA146
B	LYS147
B	MG301
B	HOH437
B	HOH438
B	HOH439
B	HOH444
B	HOH446
B	HOH450

---

site_id	AC6
Number of Residues	14
Details	binding site for Di-peptide OJ1 B 303 and CYS B 12

Chain	Residue
A	LYS5
A	LEU6
A	VAL7
A	GLU37
A	ASP38
A	SER39
A	ASP54
A	LEU56
A	TYR71
A	THR74
B	ALA11
B	GLY13
B	VAL14
B	HOH447

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Motif: {"description":"Effector region"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	29
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22431598","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22566140","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"34380736","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"35522713","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Modified residue: {"description":"N-acetylmethionine; in GTPase KRas; alternate","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2008","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Calvo F.","Kolch W."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"N-acetylthreonine; in GTPase KRas, N-terminally processed","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2008","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Calvo F.","Kolch W."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"22711838","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Glycosylation: {"description":"(Microbial infection) O-linked (Glc) threonine; by P.sordellii toxin TcsL","evidences":[{"source":"PubMed","id":"19744486","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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