3ZX3

Crystal Structure and Domain Rotation of NTPDase1 CD39

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016787	molecular_function	hydrolase activity
B	0016787	molecular_function	hydrolase activity
C	0016787	molecular_function	hydrolase activity
D	0016787	molecular_function	hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACY A 511

Chain	Residue
A	MET366
A	PHE369
A	MET383
A	THR387
A	GLY417

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACY B 511

Chain	Residue
B	GLY417
B	MET366
B	PHE369
B	MET383
B	THR387

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACY B 512

Chain	Residue
B	PHE332
B	ASN334
B	PHE344
B	SER422
B	GLN426
B	GLY427

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACY C 511

Chain	Residue
C	MET366
C	PHE369
C	MET383
C	THR387
C	GLY417

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACY C 512

Chain	Residue
C	LEU329
C	PHE332
C	ASN334
C	PHE344
C	SER422
C	GLN426
C	GLY427

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACY D 511

Chain	Residue
D	MET366
D	PHE369
D	MET383
D	THR387
D	GLY417
D	ILE420
D	LEU421

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACY D 512

Chain	Residue
D	LEU329
D	PHE332
D	ASN334
D	PHE344
D	SER422
D	GLN426
D	GLY427

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 501

Chain	Residue
A	GLY214
A	GLY215
A	ALA216
A	SER217
A	HOH2057

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 502

Chain	Residue
A	SER57
A	GLY215
A	GLN259

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 503

Chain	Residue
A	GLY56
A	SER92
A	HOH2006

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 504

Chain	Residue
A	GLU407
D	LYS406

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 505

Chain	Residue
A	TYR402
A	PRO403
A	THR404

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 506

Chain	Residue
A	GLU230
A	GLN341
B	LYS302

---

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL B 501

Chain	Residue
B	GLY214
B	GLY215
B	ALA216
B	SER217
B	HOH2009
B	HOH2045

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 502

Chain	Residue
B	SER57
B	GLY215
B	ASP258
B	GLN259

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL B 503

Chain	Residue
B	GLY56
B	SER57
B	ILE91
B	SER92
B	HOH2006

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 504

Chain	Residue
B	LYS406
B	GLU407
C	LYS406

---

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 505

Chain	Residue
B	TYR402
B	PRO403
B	THR404
B	HOH2061

---

site_id	CC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 506

Chain	Residue
B	GLU396

---

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA B 521

Chain	Residue
B	CYS342
B	ALA343
B	GLN426
B	GLY427
B	ASN429

---

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL C 501

Chain	Residue
C	GLY214
C	GLY215
C	ALA216
C	SER217

---

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 502

Chain	Residue
C	SER57
C	GLY215
C	GLN259

---

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 503

Chain	Residue
C	GLY56
C	SER57
C	SER92

---

site_id	CC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL C 504

Chain	Residue
B	LYS406
C	GLU407

---

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 505

Chain	Residue
C	TYR402
C	PRO403
C	THR404

---

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL C 506

Chain	Residue
C	ALA231
C	PRO232
C	GLU233
C	HOH2096
C	HOH2150
D	HOH2046

---

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 521

Chain	Residue
C	LEU329
C	PHE332
C	HOH2136
C	HOH2137

---

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA C 522

Chain	Residue
C	CYS342
C	ALA343
C	GLN426
C	GLY427
C	ASN429
C	HOH2155

---

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL D 501

Chain	Residue
D	GLY214
D	GLY215
D	ALA216
D	SER217
D	HOH2013
D	HOH2092

---

site_id	DC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 502

Chain	Residue
D	SER57
D	GLY215
D	GLN259

---

site_id	DC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL D 503

Chain	Residue
D	GLY56
D	SER57
D	ILE91
D	SER92

---

site_id	DC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL D 504

Chain	Residue
A	LYS406
D	GLU407

---

site_id	DC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 505

Chain	Residue
D	TYR402
D	PRO403
D	THR404

---

site_id	DC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL D 506

Chain	Residue
D	ARG135
D	ARG138
D	THR170
D	HOH2097
D	HOH2125

---

site_id	DC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 507

Chain	Residue
D	ALA231
D	PRO232
D	GLU233

---

site_id	DC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL D 508

Chain	Residue
D	TRP395
D	GLU396

---

site_id	EC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 509

Chain	Residue
D	GLY354
D	GLY354
D	GLN437

---

site_id	EC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 521

Chain	Residue
D	CYS342
D	ALA343
D	GLN426
D	GLY427
D	ASN429
D	HOH2210

---

site_id	EC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 522

Chain	Residue
D	LEU329
D	PHE332
D	HOH2193
D	HOH2194
D	HOH2195
D	HOH2197

---

Functional Information from PROSITE/UniProt

site_id	PS01238
Number of Residues	16
Details	GDA1_CD39_NTPASE GDA1/CD39 family of nucleoside phosphatases signature. ItGqeEGaYgWITiNY

Chain	Residue	Details
A	ILE169-TYR184

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	125
Details	Region: {"description":"N-terminal lobe"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"UniProtKB","id":"O35795","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	23
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---