Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3V94

TcrPDEC1 catalytic domain in complex with inhibitor wyq16

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
A	0007165	biological_process	signal transduction
A	0008081	molecular_function	phosphoric diester hydrolase activity
B	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
B	0007165	biological_process	signal transduction
B	0008081	molecular_function	phosphoric diester hydrolase activity
C	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
C	0007165	biological_process	signal transduction
C	0008081	molecular_function	phosphoric diester hydrolase activity
D	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
D	0007165	biological_process	signal transduction
D	0008081	molecular_function	phosphoric diester hydrolase activity
E	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
E	0007165	biological_process	signal transduction
E	0008081	molecular_function	phosphoric diester hydrolase activity
F	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
F	0007165	biological_process	signal transduction
F	0008081	molecular_function	phosphoric diester hydrolase activity
G	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
G	0007165	biological_process	signal transduction
G	0008081	molecular_function	phosphoric diester hydrolase activity
H	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
H	0007165	biological_process	signal transduction
H	0008081	molecular_function	phosphoric diester hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE WYQ A 701

Chain	Residue
A	TYR367
A	HOH827
D	SER497
A	THR417
A	MET482
A	PHE542
A	PHE560
A	SER569
A	GLN570
A	PHE573
A	PHE577

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 702

Chain	Residue
A	HIS372
A	HIS409
A	ASP410
A	ASP521
A	HOH801
A	HOH802

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 703

Chain	Residue
A	ASP410
A	HOH801
A	HOH803
A	HOH804
A	HOH805
A	HOH806

site_id	AC4
Number of Residues	18
Details	BINDING SITE FOR RESIDUE WYQ B 701

Chain	Residue
B	TYR367
B	HIS368
B	HIS413
B	THR417
B	MET482
B	ILE538
B	GLU541
B	PHE542
B	PHE560
B	SER569
B	GLN570
B	PHE573
B	HOH808
B	HOH842
B	HOH872
B	HOH887
B	HOH892
B	HOH907

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN B 702

Chain	Residue
B	HIS372
B	HIS409
B	ASP410
B	ASP521
B	HOH801
B	HOH802

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 703

Chain	Residue
B	ASP410
B	HOH801
B	HOH803
B	HOH804
B	HOH805
B	HOH806

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE WYQ C 701

Chain	Residue
C	TYR367
C	THR417
C	MET482
C	PHE542
C	GLN570
C	PHE573
C	PHE577
C	HOH833
C	HOH838
C	HOH877

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN C 702

Chain	Residue
C	HIS372
C	HIS409
C	ASP410
C	ASP521
C	HOH801
C	HOH802

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 703

Chain	Residue
C	ASP410
C	HOH801
C	HOH803
C	HOH804
C	HOH805
C	HOH806

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE WYQ D 701

Chain	Residue
D	TYR367
D	THR417
D	MET482
D	PHE542
D	PHE560
D	GLN570
D	PHE573

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN D 702

Chain	Residue
D	HIS372
D	HIS409
D	ASP410
D	ASP521
D	MG703
D	HOH801

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MG D 703

Chain	Residue
D	HIS409
D	ASP410
D	ASP521
D	ZN702
D	HOH802
D	HOH803
D	HOH804
D	HOH805

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE WYQ E 701

Chain	Residue
E	PHE542
E	SER569
E	GLN570
E	PHE573
E	HOH845
E	ASN418
E	MET482
E	ILE538

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN E 702

Chain	Residue
E	HIS372
E	HIS409
E	ASP410
E	ASP521
E	MG703
E	HOH801

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG E 703

Chain	Residue
E	HIS409
E	ASP410
E	ZN702
E	HOH802
E	HOH803
E	HOH804
E	HOH805

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE WYQ F 701

Chain	Residue
F	TYR367
F	THR417
F	PHE542
F	PHE560
F	GLN570
F	PHE573
F	HOH808
F	HOH830
F	HOH843
F	HOH924

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN F 702

Chain	Residue
F	HIS372
F	HIS409
F	ASP410
F	ASP521
F	HOH801
F	HOH802

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG F 703

Chain	Residue
F	ASP410
F	HIS442
F	HOH801
F	HOH803
F	HOH804
F	HOH805
F	HOH806

site_id	CC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE WYQ G 701

Chain	Residue
G	TYR367
G	THR417
G	MET482
G	PHE542
G	PHE560
G	SER569
G	GLN570
G	PHE573
G	PHE577
G	HOH837
G	HOH839
G	HOH887
H	SER497

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN G 702

Chain	Residue
G	HIS372
G	HIS409
G	ASP410
G	ASP521
G	HOH801
G	HOH802

site_id	CC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG G 703

Chain	Residue
G	ASP410
G	GLU439
G	HOH801
G	HOH803
G	HOH804
G	HOH805
G	HOH806

site_id	CC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE WYQ H 701

Chain	Residue
H	TYR367
H	THR417
H	MET482
H	SER483
H	PHE542
H	SER569
H	GLN570
H	PHE573
H	HOH810
H	HOH841

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN H 702

Chain	Residue
H	HIS372
H	HIS409
H	ASP410
H	ASP521
H	HOH801
H	HOH802

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG H 703

Chain	Residue
H	ASP410
H	GLU439
H	HOH801
H	HOH803
H	HOH804
H	HOH805
H	HOH820

Functional Information from PROSITE/UniProt

site_id	PS00126
Number of Residues	12
Details	PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDVcHpGrtNaF

Chain	Residue	Details
A	HIS409-PHE420

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)