4M22

Crystal Structure of small molecule acrylamide 16 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	6
Details	BINDING SITE FOR RESIDUE MG A 201

Chain	Residue
A	SER17
A	GDP202
A	HOH306
A	HOH342
A	HOH343
A	HOH345

---

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

Chain	Residue
A	LYS16
A	SER17
A	ALA18
A	PHE28
A	VAL29
A	ASP30
A	TYR32
A	ASN116
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	MG201
A	HOH306
A	HOH331
A	HOH345
A	GLY13
A	VAL14
A	GLY15

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 201

Chain	Residue
B	SER17
B	GDP203
B	HOH302
B	HOH305
B	HOH361
B	HOH363

---

site_id	AC4
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 22C B 202

Chain	Residue
B	CYS12
B	LYS16
B	PRO34
B	ALA59
B	GLY60
B	GLN61
B	GLU62
B	GLU63
B	ARG68
B	TYR71
B	MET72
B	TYR96
B	GDP203
B	HOH303

---

site_id	AC5
Number of Residues	26
Details	BINDING SITE FOR RESIDUE GDP B 203

Chain	Residue
B	GLY13
B	VAL14
B	GLY15
B	LYS16
B	SER17
B	ALA18
B	PHE28
B	VAL29
B	ASP30
B	TYR32
B	ASN116
B	LYS117
B	ASP119
B	LEU120
B	SER145
B	ALA146
B	LYS147
B	MG201
B	22C202
B	HOH302
B	HOH313
B	HOH315
B	HOH317
B	HOH329
B	HOH361
B	HOH363

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 201

Chain	Residue
C	SER17
C	GDP203
C	HOH309
C	HOH335
C	HOH338
C	HOH339

---

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 22C C 202

Chain	Residue
B	GLN70
C	CYS12
C	LYS16
C	PRO34
C	GLY60
C	TYR71
C	MET72
C	TYR96
C	GLN99
C	GDP203
C	HOH301

---

site_id	AC8
Number of Residues	23
Details	BINDING SITE FOR RESIDUE GDP C 203

Chain	Residue
C	ASP119
C	LEU120
C	SER145
C	ALA146
C	LYS147
C	MG201
C	22C202
C	HOH313
C	HOH315
C	HOH316
C	HOH317
C	HOH335
C	HOH338
C	HOH339
C	GLY13
C	VAL14
C	GLY15
C	LYS16
C	SER17
C	ALA18
C	PHE28
C	ASN116
C	LYS117

---

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

---