5KYK

Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs

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	15
Details	binding site for residue 6ZD A 201

Chain	Residue
A	CYS12
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	GLY13
A	GLY15
A	SER17
A	ALA18
A	PHE28
A	VAL29
A	ASP30
A	ASN116

---

site_id	AC2
Number of Residues	19
Details	binding site for Di-peptide 6ZD B 201 and CYS B 12

Chain	Residue
B	ALA11
B	GLY13
B	VAL14
B	GLY15
B	ALA18
B	PHE28
B	VAL29
B	ASP30
B	GLU31
B	THR58
B	GLN61
B	ASN116
B	LYS117
B	ASP119
B	LEU120
B	SER145
B	ALA146
B	LYS147
B	HOH305

---

site_id	AC3
Number of Residues	18
Details	binding site for Di-peptide 6ZD B 201 and ASP B 119

Chain	Residue
B	CYS12
B	GLY13
B	GLY15
B	ALA18
B	PHE28
B	VAL29
B	ASP30
B	GLU31
B	THR58
B	ASN116
B	LYS117
B	CYS118
B	LEU120
B	PRO121
B	SER145
B	ALA146
B	LYS147
B	HOH305

---

site_id	AC4
Number of Residues	18
Details	binding site for Di-peptide 6ZD B 201 and ALA B 146

Chain	Residue
B	CYS12
B	GLY13
B	GLY15
B	ALA18
B	GLN22
B	PHE28
B	VAL29
B	ASP30
B	GLU31
B	THR58
B	ASN116
B	LYS117
B	ASP119
B	LEU120
B	SER145
B	LYS147
B	THR148
B	HOH305

---

site_id	AC5
Number of Residues	19
Details	binding site for Di-peptide 6ZD C 201 and ASP C 119

Chain	Residue
C	CYS12
C	GLY13
C	GLY15
C	LYS16
C	SER17
C	ALA18
C	PHE28
C	VAL29
C	ASP30
C	PRO34
C	ALA59
C	ASN116
C	LYS117
C	CYS118
C	LEU120
C	PRO121
C	SER145
C	ALA146
C	LYS147

---

site_id	AC6
Number of Residues	19
Details	binding site for Di-peptide 6ZD C 201 and ALA C 146

Chain	Residue
C	PRO34
C	ALA59
C	ASN116
C	LYS117
C	ASP119
C	LEU120
C	SER145
C	LYS147
C	THR148
C	CYS12
C	GLY13
C	GLY15
C	LYS16
C	SER17
C	ALA18
C	GLN22
C	PHE28
C	VAL29
C	ASP30

---

site_id	AC7
Number of Residues	19
Details	binding site for Di-peptide 6ZD C 201 and CYS C 12

Chain	Residue
C	ALA11
C	GLY13
C	VAL14
C	GLY15
C	LYS16
C	SER17
C	ALA18
C	PHE28
C	VAL29
C	ASP30
C	PRO34
C	ALA59
C	ASN116
C	LYS117
C	ASP119
C	LEU120
C	SER145
C	ALA146
C	LYS147

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22431598","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22566140","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"34380736","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"35522713","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Modified residue: {"description":"N-acetylmethionine; in GTPase KRas; alternate","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2008","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Calvo F.","Kolch W."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Modified residue: {"description":"N-acetylthreonine; in GTPase KRas, N-terminally processed","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2008","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Calvo F.","Kolch W."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"22711838","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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