2CYE

Crystal structure of Thioesterase complexed with coenzyme A and Zn from Thermus thermophilus HB8

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding
A	0047617	molecular_function	fatty acyl-CoA hydrolase activity
B	0016787	molecular_function	hydrolase activity
B	0046872	molecular_function	metal ion binding
B	0047617	molecular_function	fatty acyl-CoA hydrolase activity
C	0016787	molecular_function	hydrolase activity
C	0046872	molecular_function	metal ion binding
C	0047617	molecular_function	fatty acyl-CoA hydrolase activity
D	0016787	molecular_function	hydrolase activity
D	0046872	molecular_function	metal ion binding
D	0047617	molecular_function	fatty acyl-CoA hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1001

Chain	Residue
A	ASP18
A	HIS22
C	GLU50
C	COA602

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 1002

Chain	Residue
B	ASP18
B	HIS22
B	COA601
D	GLU50

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 1003

Chain	Residue
C	ASP18
C	HIS22
C	COA603
A	GLU50

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 1004

Chain	Residue
B	GLU50
B	COA604
D	ASP18
D	HIS22

---

site_id	AC5
Number of Residues	23
Details	BINDING SITE FOR RESIDUE COA B 601

Chain	Residue
B	HIS22
B	VAL23
B	ASP61
B	TYR62
B	LEU63
B	ARG64
B	PRO65
B	ZN1002
B	HOH1006
B	HOH1016
B	HOH1034
B	HOH1041
B	HOH1073
D	GLU50
D	VAL55
D	ALA56
D	ARG57
D	GLY82
D	ARG83
D	SER84
D	SER85
D	PRO114
D	HOH1042

---

site_id	AC6
Number of Residues	26
Details	BINDING SITE FOR RESIDUE COA C 602

Chain	Residue
A	HIS22
A	VAL23
A	ASP61
A	TYR62
A	LEU63
A	ARG64
A	PRO65
A	ZN1001
A	HOH1006
A	HOH1012
A	HOH1023
C	GLU50
C	VAL55
C	ALA56
C	ARG57
C	GLY82
C	ARG83
C	SER84
C	SER85
C	PRO114
C	COA603
C	HOH1040
C	HOH1050
C	HOH1051
C	HOH1064
C	HOH1081

---

site_id	AC7
Number of Residues	31
Details	BINDING SITE FOR RESIDUE COA C 603

Chain	Residue
A	GLU50
A	VAL55
A	ALA56
A	ARG57
A	GLY82
A	ARG83
A	SER84
A	SER85
A	PRO114
C	ASP18
C	HIS22
C	VAL23
C	ASP61
C	TYR62
C	LEU63
C	ARG64
C	PRO65
C	ARG83
C	COA602
C	ZN1003
C	HOH1007
C	HOH1010
C	HOH1014
C	HOH1040
C	HOH1045
C	HOH1062
C	HOH1064
C	HOH1065
C	HOH1074
C	HOH1075
C	HOH1081

---

site_id	AC8
Number of Residues	30
Details	BINDING SITE FOR RESIDUE COA B 604

Chain	Residue
B	ARG57
B	GLY82
B	ARG83
B	SER84
B	SER85
B	LEU109
B	PRO114
B	HOH1003
B	HOH1043
B	HOH1048
B	HOH1052
B	HOH1062
D	ASP18
D	HIS22
D	VAL23
D	ASP61
D	TYR62
D	LEU63
D	ARG64
D	PRO65
D	LEU81
D	GLY82
D	ARG83
D	ARG122
D	ZN1004
D	HOH1007
D	HOH1008
B	GLU50
B	VAL55
B	ALA56

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