6N2J

Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-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

Functional Information from PDB Data

site_id	AC1
Number of Residues	26
Details	binding site for residue GDP A 201

Chain	Residue
A	ALA11
A	ASP30
A	ASN116
A	LYS117
A	ASP119
A	LEU120
A	SER145
A	ALA146
A	LYS147
A	MG202
A	HOH312
A	GLY13
A	HOH325
A	HOH337
A	HOH343
A	HOH359
A	HOH362
A	HOH381
A	HOH390
A	VAL14
A	GLY15
A	LYS16
A	SER17
A	ALA18
A	PHE28
A	VAL29

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site_id	AC2
Number of Residues	6
Details	binding site for residue MG A 202

Chain	Residue
A	SER17
A	GDP201
A	HOH312
A	HOH325
A	HOH343
A	HOH374

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site_id	AC3
Number of Residues	19
Details	binding site for residue K9M A 203

Chain	Residue
A	GLY10
A	CYS12
A	LYS16
A	PRO34
A	ALA59
A	GLY60
A	GLU62
A	GLU63
A	TYR64
A	ARG68
A	ASP69
A	MET72
A	HIS95
A	TYR96
A	GLN99
A	ILE100
A	ARG102
A	HOH343
A	HOH347

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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
A	VAL29
A	ALA59
A	ASN116

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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

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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

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

Chain	Residue	Details
A	LYS104

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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

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