5V9L

KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder

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
C	0003924	molecular_function	GTPase activity
C	0005525	molecular_function	GTP binding
C	0007165	biological_process	signal transduction
C	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	24
Details	binding site for residue GDP A 201

Chain	Residue
A	CYS12
A	ASP30
A	TYR32
A	ASN116
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	MG202
A	GLY13
A	91D203
A	HOH301
A	HOH315
A	HOH336
A	HOH356
A	VAL14
A	GLY15
A	LYS16
A	SER17
A	ALA18
A	PHE28
A	VAL29

---

site_id	AC2
Number of Residues	6
Details	binding site for residue MG A 202

Chain	Residue
A	SER17
A	GDP201
A	HOH301
A	HOH306
A	HOH322
A	HOH336

---

site_id	AC3
Number of Residues	11
Details	binding site for residue 91D A 203

Chain	Residue
A	VAL9
A	GLY10
A	CYS12
A	LYS16
A	ALA59
A	GLY60
A	HIS95
A	TYR96
A	VAL103
A	GDP201
A	HOH336

---

site_id	AC4
Number of Residues	24
Details	binding site for residue GDP B 201

Chain	Residue
B	GLY13
B	VAL14
B	GLY15
B	LYS16
B	SER17
B	ALA18
B	PHE28
B	VAL29
B	ASP30
B	ASN116
B	LYS117
B	ASP119
B	LEU120
B	SER145
B	ALA146
B	LYS147
B	MG202
B	HOH312
B	HOH318
B	HOH321
B	HOH324
B	HOH325
B	HOH331
B	HOH378

---

site_id	AC5
Number of Residues	6
Details	binding site for residue MG B 202

Chain	Residue
B	SER17
B	GDP201
B	HOH312
B	HOH321
B	HOH331
B	HOH342

---

site_id	AC6
Number of Residues	22
Details	binding site for residue GDP C 201

Chain	Residue
C	GLY13
C	VAL14
C	GLY15
C	LYS16
C	SER17
C	ALA18
C	PHE28
C	VAL29
C	ASP30
C	ASN116
C	LYS117
C	ASP119
C	LEU120
C	SER145
C	ALA146
C	LYS147
C	MG202
C	HOH313
C	HOH317
C	HOH322
C	HOH323
C	HOH327

---

site_id	AC7
Number of Residues	6
Details	binding site for residue MG C 202

Chain	Residue
C	SER17
C	GDP201
C	HOH317
C	HOH322
C	HOH323
C	HOH338

---

site_id	AC8
Number of Residues	16
Details	binding site for Di-peptide 91D B 203 and CYS B 12

Chain	Residue
A	GLY48
B	VAL9
B	GLY10
B	ALA11
B	GLY13
B	VAL14
B	LYS16
B	PRO34
B	THR58
B	ALA59
B	GLY60
B	HIS95
B	TYR96
B	VAL103
B	HOH307
B	HOH380

---

site_id	AC9
Number of Residues	16
Details	binding site for Di-peptide 91D C 203 and CYS C 12

Chain	Residue
C	VAL9
C	GLY10
C	ALA11
C	GLY13
C	VAL14
C	LYS16
C	PRO34
C	THR58
C	ALA59
C	GLY60
C	MET72
C	HIS95
C	TYR96
C	VAL103
C	HOH322
C	HOH343

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:22431598, ECO:0000269|PubMed:22566140

Chain	Residue	Details
A	GLY10
C	VAL29
C	ALA59
C	ASN116
A	VAL29
A	ALA59
A	ASN116
B	GLY10
B	VAL29
B	ALA59
B	ASN116
C	GLY10

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	MOD_RES: N-acetylmethionine; in GTPase KRas; alternate => ECO:0000269|Ref.17

Chain	Residue	Details
A	MET1
B	MET1
C	MET1

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	MOD_RES: N-acetylthreonine; in GTPase KRas, N-terminally processed => ECO:0000269|Ref.17

Chain	Residue	Details
A	THR2
B	THR2
C	THR2

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:22711838

Chain	Residue	Details
A	LYS104
B	LYS104
C	LYS104

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	CARBOHYD: (Microbial infection) O-linked (Glc) threonine; by P.sordellii toxin TcsL => ECO:0000269|PubMed:19744486

Chain	Residue	Details
A	THR35
B	THR35
C	THR35

---