Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6F76

Antibody derived (Abd-8) 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	HOH301
B	HOH308

site_id	AC2
Number of Residues	26
Details	binding site for residue GNP B 202

Chain	Residue
B	SER17
B	ALA18
B	PHE28
B	VAL29
B	ASP30
B	GLU31
B	PRO34
B	THR35
B	GLY60
B	ASN116
B	LYS117
B	ASP119
B	LEU120
B	SER145
B	ALA146
B	LYS147
B	MG201
B	HOH301
B	HOH302
B	HOH303
B	HOH305
B	HOH308
B	GLY13
B	VAL14
B	GLY15
B	LYS16

site_id	AC3
Number of Residues	7
Details	binding site for residue CVK B 203

Chain	Residue
B	LYS5
B	SER39
B	ARG41
B	ASP54
B	TYR71
B	THR74
E	GLN-1

site_id	AC4
Number of Residues	5
Details	binding site for residue MG A 201

Chain	Residue
A	SER17
A	THR35
A	GNP202
A	HOH301
A	HOH305

site_id	AC5
Number of Residues	24
Details	binding site for residue GNP A 202

Chain	Residue
A	GLY13
A	VAL14
A	GLY15
A	LYS16
A	SER17
A	ALA18
A	PHE28
A	VAL29
A	ASP30
A	TYR32
A	PRO34
A	THR35
A	GLY60
A	ASN116
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	MG201
A	HOH301
A	HOH302
A	HOH305

site_id	AC6
Number of Residues	12
Details	binding site for residue CVK A 203

Chain	Residue
A	LYS5
A	LEU6
A	VAL7
A	SER39
A	TYR40
A	ARG41
A	ASP54
A	TYR71
A	THR74
B	GLN99
B	ARG102
B	ASP105

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

Chain	Residue
C	SER17
C	THR35
C	GNP202
C	HOH301
C	HOH303

site_id	AC8
Number of Residues	24
Details	binding site for residue GNP C 202

Chain	Residue
C	LYS117
C	ASP119
C	LEU120
C	SER145
C	ALA146
C	LYS147
C	MG201
C	HOH301
C	HOH303
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

site_id	AC9
Number of Residues	6
Details	binding site for residue CVK C 203

Chain	Residue
A	GLN-1
C	VAL7
C	SER39
C	ARG41
C	ASP54
C	THR74

site_id	AD1
Number of Residues	25
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	HOH301
D	HOH302

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

Chain	Residue
D	SER17
D	THR35
D	GNP201
D	HOH301
D	HOH302

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

Chain	Residue
E	SER17
E	THR35
E	GNP202
E	HOH301
E	HOH302

site_id	AD4
Number of Residues	24
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	MG201
E	HOH301
E	HOH302

site_id	AD5
Number of Residues	4
Details	binding site for residue MG F 201

Chain	Residue
F	SER17
F	THR35
F	ASP57
F	GNP202

site_id	AD6
Number of Residues	21
Details	binding site for residue GNP F 202

Chain	Residue
F	GLY12
F	GLY13
F	VAL14
F	GLY15
F	LYS16
F	SER17
F	ALA18
F	PHE28
F	VAL29
F	ASP30
F	TYR32
F	PRO34
F	THR35
F	GLY60
F	ASN116
F	LYS117
F	ASP119
F	LEU120
F	SER145
F	ALA146
F	MG201

site_id	AD7
Number of Residues	7
Details	binding site for residue CVK F 203

Chain	Residue
D	GLN-1
F	VAL7
F	SER39
F	ARG41
F	ASP54
F	TYR71
F	THR74

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
B	GLY10
C	VAL29
C	ALA59
C	ASN116
D	GLY10
D	VAL29
D	ALA59
D	ASN116
E	GLY10
E	VAL29
E	ALA59
B	VAL29
E	ASN116
F	GLY10
F	VAL29
F	ALA59
F	ASN116
B	ALA59
B	ASN116
A	GLY10
A	VAL29
A	ALA59
A	ASN116
C	GLY10

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
B	MET1
A	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
B	THR2
A	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
B	LYS104
A	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
B	THR35
A	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)