6YYG

Crystal Structure of 5-(trifluoromethoxy)indoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0035556	biological_process	intracellular signal transduction
B	0035556	biological_process	intracellular signal transduction
C	0035556	biological_process	intracellular signal transduction
D	0035556	biological_process	intracellular signal transduction

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	binding site for residue Q1B A 201

Chain	Residue
A	LYS12
A	LEU111
A	SER14
A	GLN15
A	PHE30
A	LEU37
A	TYR39
A	SER55
A	ILE56
A	TYR106

---

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

Chain	Residue
A	GLU96
A	HOH354
A	HOH359
B	HOH306
B	HOH308
B	HOH344

---

site_id	AC3
Number of Residues	4
Details	binding site for residue ZN A 203

Chain	Residue
A	HIS143
A	CYS154
A	CYS155
A	CYS165

---

site_id	AC4
Number of Residues	4
Details	binding site for residue ZN B 202

Chain	Residue
B	HIS143
B	CYS154
B	CYS155
B	CYS165

---

site_id	AC5
Number of Residues	4
Details	binding site for residue ZN C 201

Chain	Residue
C	HIS143
C	CYS154
C	CYS155
C	CYS165

---

site_id	AC6
Number of Residues	1
Details	binding site for residue MG D 202

Chain	Residue
D	GLU96

---

site_id	AC7
Number of Residues	4
Details	binding site for residue ZN D 203

Chain	Residue
D	HIS143
D	CYS154
D	CYS155
D	CYS165

---

site_id	AC8
Number of Residues	15
Details	binding site for Di-peptide Q1B B 201 and LYS B 12

Chain	Residue
B	LEU11
B	ARG13
B	SER14
B	GLN15
B	PHE25
B	LYS26
B	PHE30
B	LEU37
B	TYR39
B	GLY54
B	SER55
B	ILE56
B	TYR106
B	LEU111
B	TYR112

---

site_id	AC9
Number of Residues	12
Details	binding site for Di-peptide Q1B D 201 and LYS D 12

Chain	Residue
D	LEU11
D	ARG13
D	SER14
D	PHE25
D	LYS26
D	PHE30
D	TYR39
D	SER55
D	ILE56
D	TYR106
D	LEU111
D	TYR112

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10196129","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00432","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"10196129","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9218782","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAY-2007","submissionDatabase":"PDB data bank","title":"Crystal structure of PH domain of Bruton's tyrosine kinase.","authors":["Murayama K.","Kato-Murayama M.","Mishima C.","Shirouzu M.","Yokoyama S."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Modified residue: {"description":"N-acetylalanine","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"NOV-2005","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Claeys D."]}},{"source":"PubMed","id":"25944712","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	5
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"16644721","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"P35991","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---