4M1W

Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C

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	5
Details	BINDING SITE FOR RESIDUE MG A 201

Chain	Residue
A	SER17
A	GDP203
A	HOH337
A	HOH417
A	HOH418

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 21R A 202

Chain	Residue
C	ARG41
C	ASP54
C	GLN70
C	TYR71
C	THR74
C	GLY75
A	CYS12
C	LYS5
C	VAL7
C	SER39

---

site_id	AC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE GDP A 203

Chain	Residue
A	CYS12
A	GLY13
A	VAL14
A	GLY15
A	LYS16
A	SER17
A	ALA18
A	PHE28
A	VAL29
A	ASP30
A	ASN116
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	MG201
A	HOH337
A	HOH338
A	HOH345
A	HOH353
A	HOH362
A	HOH368
A	HOH417

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 21R B 201

Chain	Residue
B	VAL9
B	GLY10
B	CYS12
B	THR58
B	GLU62
B	ARG68
B	TYR71
B	TYR96
B	GLN99
C	GLN70
C	ARG73

---

site_id	AC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE GDP B 202

Chain	Residue
B	GLY13
B	VAL14
B	GLY15
B	LYS16
B	SER17
B	ALA18
B	PHE28
B	ASN116
B	LYS117
B	ASP119
B	LEU120
B	SER145
B	ALA146
B	LYS147
B	HOH310
B	HOH319
B	HOH338
B	HOH370
B	HOH382
B	HOH386
B	HOH415
B	HOH417

---

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 21R C 201

Chain	Residue
C	CYS12
C	CYS12
C	THR58
C	ALA59
C	ALA59
C	GLN61
C	GLU63
C	TYR71
C	MET72
C	TYR96
C	GLN99
C	HOH307
C	HOH358

---

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE GDP C 202

Chain	Residue
C	ALA146
C	LYS147
C	HOH307
C	HOH339
C	HOH352
C	GLY13
C	VAL14
C	GLY15
C	LYS16
C	SER17
C	ALA18
C	PHE28
C	ALA59
C	ASN116
C	LYS117
C	ASP119
C	LEU120
C	SER145

---

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

---