6WGN

Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2

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	28
Details	binding site for residue GNP A 201

Chain	Residue
A	ASP12
A	ASP30
A	GLU31
A	TYR32
A	ASN116
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	GLY13
A	MG202
A	HOH311
A	HOH318
A	HOH346
A	HOH359
A	HOH370
A	HOH401
A	HOH409
A	HOH415
A	VAL14
A	GLY15
A	LYS16
A	SER17
A	ALA18
A	PHE28
A	VAL29

---

site_id	AC2
Number of Residues	5
Details	binding site for residue MG A 202

Chain	Residue
A	SER17
A	GNP201
A	HOH346
A	HOH359
A	HOH401

---

site_id	AC3
Number of Residues	28
Details	binding site for residue GNP B 201

Chain	Residue
B	ASP12
B	GLY13
B	VAL14
B	GLY15
B	LYS16
B	SER17
B	ALA18
B	PHE28
B	ASP30
B	GLU31
B	ASN116
B	LYS117
B	ASP119
B	LEU120
B	SER145
B	ALA146
B	LYS147
B	MG202
B	HOH310
B	HOH327
B	HOH347
B	HOH353
B	HOH398
B	HOH403
B	HOH405
B	HOH406
B	HOH414
B	HOH427

---

site_id	AC4
Number of Residues	5
Details	binding site for residue MG B 202

Chain	Residue
B	SER17
B	GNP201
B	HOH327
B	HOH353
B	HOH398

---

site_id	AC5
Number of Residues	26
Details	binding site for residue GNP C 201

Chain	Residue
C	ASP12
C	GLY13
C	VAL14
C	GLY15
C	LYS16
C	SER17
C	ALA18
C	ASN116
C	LYS117
C	ASP119
C	LEU120
C	SER145
C	ALA146
C	LYS147
C	MG202
C	HOH312
C	HOH321
C	HOH333
C	HOH340
C	HOH372
C	HOH396
C	HOH399
C	HOH413
C	HOH423
C	HOH427
C	HOH432

---

site_id	AC6
Number of Residues	5
Details	binding site for residue MG C 202

Chain	Residue
C	SER17
C	GNP201
C	HOH333
C	HOH372
C	HOH399

---

site_id	AC7
Number of Residues	9
Details	binding site for Di-peptide GLY E 0 and DTY E 1

Chain	Residue
C	TYR96
E	PHE2
E	THR10
E	PHE11
E	CYS13
E	HOH107
E	HOH108
C	ASP92
C	HIS95

---

site_id	AC8
Number of Residues	14
Details	binding site for Di-peptide DTY E 1 and PHE E 2

Chain	Residue
C	ASP92
C	HIS95
C	TYR96
C	GLN99
E	GLY0
E	VAL3
E	ASN4
E	PHE8
E	ARG9
E	THR10
E	PHE11
E	HOH103
E	HOH107
E	HOH112

---

site_id	AC9
Number of Residues	7
Details	binding site for Di-peptide GLY F 0 and DTY F 1

Chain	Residue
A	ASP92
A	TYR96
F	PHE2
F	THR10
F	PHE11
F	CYS13
F	HOH106

---

site_id	AD1
Number of Residues	14
Details	binding site for Di-peptide DTY F 1 and PHE F 2

Chain	Residue
A	ASP92
A	HIS95
A	TYR96
A	GLN99
F	GLY0
F	VAL3
F	ASN4
F	PHE8
F	ARG9
F	THR10
F	PHE11
F	HOH103
F	HOH106
F	HOH109

---

site_id	AD2
Number of Residues	9
Details	binding site for Di-peptide GLY G 0 and DTY G 1

Chain	Residue
B	ASP92
B	HIS95
B	TYR96
G	PHE2
G	THR10
G	PHE11
G	CYS13
G	HOH113
G	HOH114

---

site_id	AD3
Number of Residues	15
Details	binding site for Di-peptide DTY G 1 and PHE G 2

Chain	Residue
B	GLN43
B	ASP92
B	HIS95
B	TYR96
B	GLN99
B	HOH326
G	GLY0
G	VAL3
G	ASN4
G	PHE8
G	ARG9
G	THR10
G	PHE11
G	HOH109
G	HOH113

---

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

---