4J9G

Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH7

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 201

Chain	Residue
E	GLU86
E	LYS87
E	LYS105
E	HOH310

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site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL E 202

Chain	Residue
E	GLU101
E	HOH303
E	HOH323
C	GLY92
C	GLU101
E	LEU91
E	GLY92
E	TYR93

---

site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR CHAIN B OF P7

Chain	Residue
A	TYR70
A	TYR70
A	SER75
A	GLY76
A	THR79
A	LYS84
A	ASN94
A	GLU98
A	TRP99
A	LYS105
A	ASN106
A	TRP110
A	TYR115
A	HOH211
B	HOH101
B	HOH102
B	HOH104

---

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR CHAIN D OF P7

Chain	Residue
C	TYR70
C	SER75
C	GLY76
C	ASP77
C	ASN78
C	THR79
C	ASN94
C	GLU98
C	TRP99
C	LYS105
C	ASN106
C	TRP110
C	TYR115
D	HOH101
E	TYR70
E	LYS84
E	HOH304

---

site_id	AC5
Number of Residues	18
Details	BINDING SITE FOR CHAIN F OF P7

Chain	Residue
C	TYR70
C	LYS84
E	SER75
E	GLY76
E	ASP77
E	ASN78
E	THR79
E	ASN94
E	GLU98
E	TRP99
E	LYS105
E	ASN106
E	TRP110
E	TYR115
E	HOH305
E	HOH319
F	HOH101
F	HOH102

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"PubMed","id":"16912036","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18775435","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	3
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"16912036","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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