1S18

Structure and protein design of human apyrase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005509	molecular_function	calcium ion binding
A	0017110	molecular_function	nucleoside diphosphate phosphatase activity
B	0005509	molecular_function	calcium ion binding
B	0017110	molecular_function	nucleoside diphosphate phosphatase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA A 1001

Chain	Residue
A	SER98
A	ASP99
A	GLU145
A	GLU214
A	SER275
A	GLU326
A	HOH3135

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA B 1002

Chain	Residue
B	GLU145
B	GLU214
B	SER275
B	GLU326
B	HOH3020
B	SER98
B	ASP99

---

site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACT A 3001

Chain	Residue
A	GLN234

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT B 3002

Chain	Residue
B	LYS161
B	GLU162
B	TRP163
B	THR164

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ACT B 3003

Chain	Residue
B	ASP133
B	LYS143
B	TRP163
B	ASN174
B	PRO175
B	HOH3046
B	HOH3136
B	HOH3235

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT B 3004

Chain	Residue
B	ARG93
B	ARG113
B	LYS143
B	TRP163
B	HOH3220
B	HOH3239

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS A 2001

Chain	Residue
A	TYR21
A	ILE101
A	VAL102
A	VAL149
A	LYS278
A	GLU329
A	HOH3016
A	HOH3026
A	HOH3145
A	HOH3270

---

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS A 2002

Chain	Residue
A	LEU23
A	LEU59
A	LYS61
A	ILE120
A	GLU121
A	GLY122
A	HOH3177
B	TYR63
B	TRS2007

---

site_id	AC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS B 2003

Chain	Residue
B	TYR21
B	VAL102
B	LYS278
B	GLU329
B	HOH3019
B	HOH3032
B	HOH3103
B	HOH3112
B	HOH3169
B	HOH3185

---

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS B 2004

Chain	Residue
A	TYR63
B	LEU23
B	LEU59
B	LYS61
B	ILE120
B	GLU121
B	GLY122
B	TRS2007
B	HOH3098
B	HOH3237

---

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TRS A 2005

Chain	Residue
A	ILE260
A	ALA261
A	VAL262
A	HOH3021
A	HOH3106
A	HOH3113
A	HOH3141
B	ALA232
B	SER233
B	GLN234
B	LYS245

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE TRS B 2006

Chain	Residue
A	ARG236
B	VAL262
B	SER263
B	HIS264

---

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS B 2007

Chain	Residue
A	ARG36
A	LYS61
A	TRS2002
B	ARG36
B	LYS61
B	TRS2004
B	HOH3195
B	HOH3237

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	10
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15006348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16835225","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1S18","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1S1D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2H2N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2H2U","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15006348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16835225","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1S18","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2H2N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2H2U","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Site: {"description":"Important for dimer formation","evidences":[{"source":"PubMed","id":"16835225","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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