4NYJ

Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange

Functional Information from GO Data

Chain	GOid	namespace	contents
Q	0003924	molecular_function	GTPase activity
Q	0005525	molecular_function	GTP binding
Q	0007165	biological_process	signal transduction
Q	0016020	cellular_component	membrane
R	0003924	molecular_function	GTPase activity
R	0005525	molecular_function	GTP binding
R	0007165	biological_process	signal transduction
R	0016020	cellular_component	membrane
S	0005085	molecular_function	guanyl-nucleotide exchange factor activity
S	0007264	biological_process	small GTPase-mediated signal transduction

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG Q 201

Chain	Residue
Q	SER17
Q	THR35
Q	ASP57
Q	GNP202
Q	HOH309
Q	HOH310

---

site_id	AC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE GNP Q 202

Chain	Residue
Q	LYS16
Q	SER17
Q	ALA18
Q	PHE28
Q	VAL29
Q	ASP30
Q	GLU31
Q	TYR32
Q	PRO34
Q	THR35
Q	GLY60
Q	GLN61
Q	ASN116
Q	LYS117
Q	ASP119
Q	SER145
Q	ALA146
Q	MG201
Q	HOH309
Q	HOH310
Q	GLY13
Q	VAL14
Q	GLY15

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 2PZ S 1101

Chain	Residue
S	MET878
S	ASN879
S	TYR884
S	ASP887
S	PHE890

---

Functional Information from PROSITE/UniProt

site_id	PS00720
Number of Residues	34
Details	RASGEF Ras Guanine-nucleotide exchange factors domain signature. VPFfGiyLtNIlkteegnpevlkrhgkel.................INFsK

Chain	Residue	Details
S	VAL927-LYS960

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	Motif: {"description":"Effector region"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	34
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16698776","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"35522713","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Modified residue: {"description":"N-acetylmethionine; in GTPase HRas; 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_FI4
Number of Residues	2
Details	Modified residue: {"description":"N-acetylthreonine; in GTPase HRas, 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_FI5
Number of Residues	2
Details	Modified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"PubMed","id":"9020151","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Glycosylation: {"description":"(Microbial infection) O-linked (Glc) threonine; by P.sordellii toxin TcsL","evidences":[{"source":"PubMed","id":"19744486","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8626575","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8626586","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9632667","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	144
Details	Domain: {"description":"N-terminal Ras-GEF","evidences":[{"source":"PROSITE-ProRule","id":"PRU00135","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	239
Details	Domain: {"description":"Ras-GEF","evidences":[{"source":"PROSITE-ProRule","id":"PRU00168","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---