4DST

Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000139	cellular_component	Golgi membrane
A	0000165	biological_process	MAPK cascade
A	0001934	biological_process	positive regulation of protein phosphorylation
A	0003924	molecular_function	GTPase activity
A	0003925	molecular_function	G protein activity
A	0005515	molecular_function	protein binding
A	0005525	molecular_function	GTP binding
A	0005737	cellular_component	cytoplasm
A	0005741	cellular_component	mitochondrial outer membrane
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0005925	cellular_component	focal adhesion
A	0007165	biological_process	signal transduction
A	0007265	biological_process	Ras protein signal transduction
A	0008283	biological_process	cell population proliferation
A	0008542	biological_process	visual learning
A	0009898	cellular_component	cytoplasmic side of plasma membrane
A	0010467	biological_process	gene expression
A	0010628	biological_process	positive regulation of gene expression
A	0012505	cellular_component	endomembrane system
A	0014009	biological_process	glial cell proliferation
A	0016020	cellular_component	membrane
A	0016601	biological_process	Rac protein signal transduction
A	0016787	molecular_function	hydrolase activity
A	0019003	molecular_function	GDP binding
A	0021897	biological_process	forebrain astrocyte development
A	0030036	biological_process	actin cytoskeleton organization
A	0030857	biological_process	negative regulation of epithelial cell differentiation
A	0032228	biological_process	regulation of synaptic transmission, GABAergic
A	0035022	biological_process	positive regulation of Rac protein signal transduction
A	0035914	biological_process	skeletal muscle cell differentiation
A	0043495	molecular_function	protein-membrane adaptor activity
A	0043524	biological_process	negative regulation of neuron apoptotic process
A	0044877	molecular_function	protein-containing complex binding
A	0048169	biological_process	regulation of long-term neuronal synaptic plasticity
A	0048873	biological_process	homeostasis of number of cells within a tissue
A	0051146	biological_process	striated muscle cell differentiation
A	0051402	biological_process	neuron apoptotic process
A	0060252	biological_process	positive regulation of glial cell proliferation
A	0060441	biological_process	epithelial tube branching involved in lung morphogenesis
A	0060509	biological_process	type I pneumocyte differentiation

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 9LI A 201

Chain	Residue
A	LYS5
A	ARG123
A	HOH376
A	VAL7
A	SER39
A	LEU56
A	THR74
A	GLY75
A	CYS118
A	ASP119
A	LEU120

---

site_id	AC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE GCP A 202

Chain	Residue
A	ASP12
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	MG203
A	HOH301
A	HOH302
A	HOH303
A	HOH310
A	HOH342

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 203

Chain	Residue
A	SER17
A	THR35
A	GCP202
A	HOH301
A	HOH302

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 204

Chain	Residue
A	ASP92
A	TYR96
A	GLN99

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 205

Chain	Residue
A	LYS101
A	ARG102
A	ASP105
A	SER106

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 206

Chain	Residue
A	ASP33
A	ILE36
A	GLU37
A	ASP38
A	HOH339

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 207

Chain	Residue
A	ARG97
A	VAL109
A	GLY138

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 208

Chain	Residue
A	GLY10
A	ALA59
A	GLY60
A	TYR96
A	HOH305
A	HOH308

---

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

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	MOD_RES: N-acetylthreonine; in GTPase KRas, N-terminally processed => ECO:0000269|Ref.17

Chain	Residue	Details
A	THR2

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:22711838

Chain	Residue	Details
A	LYS104

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Cysteine methyl ester => ECO:0000269|PubMed:27791178, ECO:0007744|PDB:5TAR, ECO:0007744|PDB:5TB5

Chain	Residue	Details
A	VAL186

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	LIPID: S-palmitoyl cysteine => ECO:0000305|PubMed:29239724

Chain	Residue	Details
A	LYS180

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	LIPID: N6-palmitoyl lysine => ECO:0000269|PubMed:29239724

Chain	Residue	Details
A	LYS182

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	LIPID: N6-palmitoyl lysine => ECO:0000305|PubMed:29239724

Chain	Residue	Details
A	CYS185
A	LYS184

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	LIPID: S-farnesyl cysteine => ECO:0000269|PubMed:27791178, ECO:0000305|PubMed:24415755, ECO:0007744|PDB:5TAR, ECO:0007744|PDB:5TB5

Chain	Residue	Details
A	VAL186

---

site_id	SWS_FT_FI9
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

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000305|PubMed:30442762

Chain	Residue	Details
A	MET170

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