Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5V71

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
D	0003924	molecular_function	GTPase activity
D	0005525	molecular_function	GTP binding
D	0007165	biological_process	signal transduction
D	0016020	cellular_component	membrane
E	0003924	molecular_function	GTPase activity
E	0005525	molecular_function	GTP binding
E	0007165	biological_process	signal transduction
E	0016020	cellular_component	membrane
F	0003924	molecular_function	GTPase activity
F	0005525	molecular_function	GTP binding
F	0007165	biological_process	signal transduction
F	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	ALA11
A	ASP30
A	ASN116
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	MG202
A	HOH307
A	GLY13
A	HOH309
A	HOH317
A	HOH330
A	HOH344
A	HOH350
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	HOH307
A	HOH311
A	HOH317
A	HOH329

site_id	AC3
Number of Residues	13
Details	binding site for residue 8ZG A 203

Chain	Residue
A	VAL9
A	GLY10
A	CYS12
A	LYS16
A	PRO34
A	THR58
A	ALA59
A	GLY60
A	ARG68
A	HIS95
A	TYR96
A	VAL103
A	HOH317

site_id	AC4
Number of Residues	23
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	8ZG203
B	HOH311
B	HOH312
B	HOH315
B	HOH316
B	HOH330

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

Chain	Residue
B	SER17
B	GDP201
B	HOH308
B	HOH311
B	HOH315
B	HOH316

site_id	AC6
Number of Residues	23
Details	binding site for residue GDP C 201

Chain	Residue
C	CYS12
C	GLY13
C	VAL14
C	GLY15
C	LYS16
C	SER17
C	ALA18
C	PHE28
C	VAL29
C	ASP30
C	TYR32
C	ASN116
C	LYS117
C	ASP119
C	LEU120
C	SER145
C	ALA146
C	LYS147
C	MG202
C	8ZG203
C	HOH301
C	HOH303
C	HOH309

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

Chain	Residue
C	HOH309
C	HOH316
C	SER17
C	GDP201
C	HOH301
C	HOH303

site_id	AC8
Number of Residues	22
Details	binding site for residue GDP D 201

Chain	Residue
D	ALA11
D	GLY13
D	VAL14
D	GLY15
D	LYS16
D	SER17
D	ALA18
D	PHE28
D	VAL29
D	ASP30
D	ASN116
D	LYS117
D	ASP119
D	LEU120
D	SER145
D	ALA146
D	LYS147
D	MG202
D	HOH303
D	HOH318
D	HOH335
D	HOH354

site_id	AC9
Number of Residues	6
Details	binding site for residue MG D 202

Chain	Residue
D	SER17
D	GDP201
D	HOH303
D	HOH308
D	HOH318
D	HOH322

site_id	AD1
Number of Residues	24
Details	binding site for residue GDP E 201

Chain	Residue
E	CYS12
E	GLY13
E	VAL14
E	GLY15
E	LYS16
E	SER17
E	ALA18
E	PHE28
E	VAL29
E	ASP30
E	TYR32
E	ASN116
E	LYS117
E	ASP119
E	LEU120
E	SER145
E	ALA146
E	LYS147
E	MG202
E	8ZG203
E	HOH301
E	HOH308
E	HOH314
E	HOH315

site_id	AD2
Number of Residues	6
Details	binding site for residue MG E 202

Chain	Residue
E	SER17
E	GDP201
E	HOH301
E	HOH314
E	HOH315
E	HOH316

site_id	AD3
Number of Residues	24
Details	binding site for residue GDP F 201

Chain	Residue
F	GLY13
F	VAL14
F	GLY15
F	LYS16
F	SER17
F	ALA18
F	PHE28
F	VAL29
F	ASP30
F	TYR32
F	ASN116
F	LYS117
F	ASP119
F	LEU120
F	SER145
F	ALA146
F	LYS147
F	MG202
F	HOH305
F	HOH309
F	HOH312
F	HOH325
F	HOH331
F	HOH332

site_id	AD4
Number of Residues	6
Details	binding site for residue MG F 202

Chain	Residue
F	SER17
F	GDP201
F	HOH305
F	HOH309
F	HOH312
F	HOH314

site_id	AD5
Number of Residues	17
Details	binding site for Di-peptide 8ZG B 203 and CYS B 12

Chain	Residue
B	VAL9
B	GLY10
B	ALA11
B	GLY13
B	VAL14
B	LYS16
B	PRO34
B	THR58
B	ALA59
B	GLY60
B	MET72
B	HIS95
B	TYR96
B	GLN99
B	VAL103
B	GDP201
B	HOH315

site_id	AD6
Number of Residues	16
Details	binding site for Di-peptide 8ZG 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	GDP201
C	HOH309
C	HOH335

site_id	AD7
Number of Residues	18
Details	binding site for Di-peptide 8ZG D 203 and CYS D 12

Chain	Residue
C	GLY48
D	VAL9
D	GLY10
D	ALA11
D	GLY13
D	VAL14
D	LYS16
D	PRO34
D	THR58
D	ALA59
D	GLY60
D	MET72
D	HIS95
D	TYR96
D	GLN99
D	VAL103
D	HOH318
D	HOH342

site_id	AD8
Number of Residues	16
Details	binding site for Di-peptide 8ZG E 203 and CYS E 12

Chain	Residue
B	GLY48
E	VAL9
E	GLY10
E	ALA11
E	GLY13
E	VAL14
E	LYS16
E	PRO34
E	THR58
E	ALA59
E	GLY60
E	MET72
E	HIS95
E	TYR96
E	GDP201
E	HOH317

site_id	AD9
Number of Residues	13
Details	binding site for Di-peptide 8ZG F 203 and CYS F 12

Chain	Residue
F	VAL9
F	GLY10
F	ALA11
F	GLY13
F	VAL14
F	LYS16
F	PRO34
F	ALA59
F	GLY60
F	MET72
F	HIS95
F	TYR96
F	HOH338

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269\|PubMed:22431598, ECO:0000269\|PubMed:22566140

Chain	Residue	Details
A	GLY10
A	VAL29
A	ALA59
A	ASN116
B	GLY10
B	VAL29
B	ALA59
B	ASN116
C	GLY10
C	VAL29
C	ALA59
C	ASN116
D	GLY10
D	VAL29
D	ALA59
D	ASN116
E	GLY10
E	VAL29
E	ALA59
E	ASN116
F	GLY10
F	VAL29
F	ALA59
F	ASN116

site_id	SWS_FT_FI2
Number of Residues	6
Details	MOD_RES: N-acetylmethionine; in GTPase KRas; alternate => ECO:0000269\|Ref.17

Chain	Residue	Details
A	MET1
B	MET1
C	MET1
D	MET1
E	MET1
F	MET1

site_id	SWS_FT_FI3
Number of Residues	6
Details	MOD_RES: N-acetylthreonine; in GTPase KRas, N-terminally processed => ECO:0000269\|Ref.17

Chain	Residue	Details
A	THR2
B	THR2
C	THR2
D	THR2
E	THR2
F	THR2

site_id	SWS_FT_FI4
Number of Residues	6
Details	MOD_RES: N6-acetyllysine => ECO:0000269\|PubMed:22711838

Chain	Residue	Details
A	LYS104
B	LYS104
C	LYS104
D	LYS104
E	LYS104
F	LYS104

site_id	SWS_FT_FI5
Number of Residues	6
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
D	THR35
E	THR35
F	THR35

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)