6FA3

Antibody derived (Abd-6) small molecule binding to KRAS.

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	5
Details	binding site for residue MG B 201

Chain	Residue
B	SER17
B	THR35
B	GNP202
B	HOH313
B	HOH323

---

site_id	AC2
Number of Residues	30
Details	binding site for residue GNP B 202

Chain	Residue
B	LYS16
B	SER17
B	ALA18
B	PHE28
B	VAL29
B	ASP30
B	GLU31
B	TYR32
B	PRO34
B	THR35
B	GLY60
B	ASN116
B	LYS117
B	ASP119
B	LEU120
B	SER145
B	ALA146
B	MG201
B	HOH306
B	HOH313
B	HOH323
B	HOH325
B	HOH330
B	HOH333
B	HOH365
B	HOH367
B	GLY12
B	GLY13
B	VAL14
B	GLY15

---

site_id	AC3
Number of Residues	12
Details	binding site for residue D1Z B 203

Chain	Residue
B	LYS5
B	LEU6
B	VAL7
B	SER39
B	TYR40
B	ARG41
B	ASP54
B	ILE55
B	GLN70
B	TYR71
B	THR74
E	GLU3

---

site_id	AC4
Number of Residues	15
Details	binding site for residue D1Z A 201

Chain	Residue
A	LYS5
A	LEU6
A	VAL7
A	TYR40
A	ASP54
A	TYR71
A	THR74
A	HOH331
A	HOH343
B	ASP69
B	GLN99
B	ARG102
B	VAL103
B	SER106
B	GLU107

---

site_id	AC5
Number of Residues	5
Details	binding site for residue MG A 202

Chain	Residue
A	SER17
A	THR35
A	GNP203
A	HOH322
A	HOH336

---

site_id	AC6
Number of Residues	29
Details	binding site for residue GNP A 203

Chain	Residue
A	GLY12
A	GLY13
A	VAL14
A	GLY15
A	LYS16
A	SER17
A	ALA18
A	PHE28
A	VAL29
A	ASP30
A	GLU31
A	TYR32
A	PRO34
A	THR35
A	GLY60
A	ASN116
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	MG202
A	HOH301
A	HOH312
A	HOH322
A	HOH336
A	HOH344
A	HOH349

---

site_id	AC7
Number of Residues	5
Details	binding site for residue MG C 201

Chain	Residue
C	HOH305
C	HOH318
C	SER17
C	THR35
C	GNP202

---

site_id	AC8
Number of Residues	28
Details	binding site for residue GNP C 202

Chain	Residue
C	GLY12
C	GLY13
C	VAL14
C	GLY15
C	LYS16
C	SER17
C	ALA18
C	PHE28
C	VAL29
C	ASP30
C	GLU31
C	TYR32
C	PRO34
C	THR35
C	GLY60
C	ASN116
C	LYS117
C	ASP119
C	LEU120
C	SER145
C	ALA146
C	LYS147
C	MG201
C	HOH301
C	HOH305
C	HOH311
C	HOH318
C	HOH320

---

site_id	AC9
Number of Residues	9
Details	binding site for residue D1Z C 203

Chain	Residue
A	GLU3
A	HOH365
B	ARG73
C	VAL7
C	GLU37
C	SER39
C	TYR40
C	ASP54
C	THR74

---

site_id	AD1
Number of Residues	26
Details	binding site for residue GNP D 201

Chain	Residue
D	GLY12
D	GLY13
D	VAL14
D	GLY15
D	LYS16
D	SER17
D	ALA18
D	PHE28
D	VAL29
D	ASP30
D	GLU31
D	TYR32
D	PRO34
D	THR35
D	GLY60
D	ASN116
D	LYS117
D	ASP119
D	LEU120
D	SER145
D	ALA146
D	LYS147
D	MG202
D	HOH304
D	HOH305
D	HOH313

---

site_id	AD2
Number of Residues	5
Details	binding site for residue MG D 202

Chain	Residue
D	SER17
D	THR35
D	GNP201
D	HOH305
D	HOH313

---

site_id	AD3
Number of Residues	5
Details	binding site for residue MG E 201

Chain	Residue
E	SER17
E	THR35
E	GNP202
E	HOH309
E	HOH322

---

site_id	AD4
Number of Residues	26
Details	binding site for residue GNP E 202

Chain	Residue
E	GLY12
E	GLY13
E	VAL14
E	GLY15
E	LYS16
E	SER17
E	ALA18
E	PHE28
E	VAL29
E	ASP30
E	GLU31
E	TYR32
E	PRO34
E	THR35
E	GLY60
E	ASN116
E	LYS117
E	ASP119
E	LEU120
E	SER145
E	ALA146
E	LYS147
E	MG201
E	HOH309
E	HOH321
E	HOH322

---

site_id	AD5
Number of Residues	12
Details	binding site for residue D1Z F 201

Chain	Residue
D	GLN-1
D	MET1
D	GLU3
F	VAL7
F	GLU37
F	SER39
F	TYR40
F	ARG41
F	ASP54
F	MET67
F	TYR71
F	THR74

---

site_id	AD6
Number of Residues	5
Details	binding site for residue MG F 202

Chain	Residue
F	SER17
F	THR35
F	GNP203
F	HOH314
F	HOH319

---

site_id	AD7
Number of Residues	27
Details	binding site for residue GNP F 203

Chain	Residue
F	GLY12
F	GLY13
F	VAL14
F	GLY15
F	LYS16
F	SER17
F	ALA18
F	PHE28
F	VAL29
F	ASP30
F	GLU31
F	TYR32
F	PRO34
F	THR35
F	GLY60
F	ASN116
F	LYS117
F	ASP119
F	LEU120
F	SER145
F	ALA146
F	LYS147
F	MG202
F	HOH301
F	HOH314
F	HOH319
F	HOH338

---

site_id	AD8
Number of Residues	4
Details	binding site for residue DMS F 204

Chain	Residue
F	THR124
F	VAL125
F	ASP126
F	GLN129

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:22431598, ECO:0000269|PubMed:22566140

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

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	MOD_RES: N-acetylmethionine; in GTPase KRas; alternate => ECO:0000269|Ref.17

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

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: N-acetylthreonine; in GTPase KRas, N-terminally processed => ECO:0000269|Ref.17

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

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:22711838

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

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	CARBOHYD: (Microbial infection) O-linked (Glc) threonine; by P.sordellii toxin TcsL => ECO:0000269|PubMed:19744486

Chain	Residue	Details
A	THR35
C	THR35
D	THR35
E	THR35
F	THR35

---