2Q78

Crystal structure of a thioesterase-like protein (tm0581) from thermotoga maritima msb8 at 2.20 A resolution

Functional Information from PDB Data

site_id	AC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL D 142

Chain	Residue
D	ARG99

---

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL F 142

Chain	Residue
F	ILE101

---

site_id	AC3
Number of Residues	36
Details	BINDING SITE FOR RESIDUE MLC A 200

Chain	Residue
A	VAL65
A	VAL66
A	ASN94
A	ARG95
A	PRO120
A	LYS123
A	LEU127
A	HOH202
A	HOH207
A	HOH213
A	HOH215
A	HOH216
A	HOH222
A	HOH224
A	HOH233
B	TRP24
B	ALA37
B	THR38
B	SER39
B	HIS72
A	HIS0
B	VAL73
B	LYS74
B	ALA75
C	GLU67
C	HOH204
C	HOH207
C	HOH215
D	ARG71
D	LYS108
A	MSE1
A	MSE2
A	PHE4
A	HIS46
A	TYR61
A	VAL64

---

site_id	AC4
Number of Residues	29
Details	BINDING SITE FOR RESIDUE MLC B 200

Chain	Residue
A	TRP24
A	GLU26
A	ALA37
A	THR38
A	SER39
A	HIS72
A	ALA75
A	HOH208
B	HIS0
B	MSE2
B	PHE4
B	HIS46
B	TYR61
B	VAL64
B	VAL65
B	VAL66
B	ASN94
B	ARG95
B	VAL119
B	PRO120
B	LYS123
B	LEU127
B	HOH221
B	HOH222
G	ARG71
G	VAL73
G	LYS108
H	ARG95
H	MLC200

---

site_id	AC5
Number of Residues	31
Details	BINDING SITE FOR RESIDUE MLC C 200

Chain	Residue
A	HOH233
B	ARG71
B	LYS108
C	HIS0
C	MSE2
C	HIS46
C	TYR61
C	VAL64
C	VAL65
C	VAL66
C	ASN94
C	ARG95
C	PRO120
C	LYS123
C	HOH202
C	HOH204
C	HOH215
C	HOH219
C	HOH223
C	HOH237
D	TRP24
D	VAL36
D	ALA37
D	THR38
D	SER39
D	HIS72
D	VAL73
D	LYS74
D	ALA75
D	HOH214
D	HOH231

---

site_id	AC6
Number of Residues	23
Details	BINDING SITE FOR RESIDUE MLC D 200

Chain	Residue
C	GLU26
C	ALA37
C	THR38
C	SER39
C	HIS72
C	VAL73
C	LYS74
C	ALA75
C	HOH205
D	MSE1
D	MSE2
D	PHE4
D	HIS46
D	VAL64
D	VAL65
D	ASN94
D	ARG95
D	VAL119
D	LYS123
D	HOH229
D	HOH252
D	HOH257
C	TRP24

---

site_id	AC7
Number of Residues	24
Details	BINDING SITE FOR RESIDUE MLC E 200

Chain	Residue
E	MSE2
E	PHE4
E	HIS46
E	TYR61
E	VAL64
E	VAL65
E	VAL66
E	ASN94
E	ARG95
E	VAL119
E	LYS123
E	LEU127
F	TRP24
F	GLU26
F	ALA37
F	THR38
F	SER39
F	HIS72
F	LYS74
F	ALA75
G	MLC200
H	ARG71
H	VAL73
H	LYS108

---

site_id	AC8
Number of Residues	31
Details	BINDING SITE FOR RESIDUE MLC F 200

Chain	Residue
C	ARG71
C	HOH230
C	HOH233
D	GLU67
D	HOH208
E	TRP24
E	GLU26
E	ALA37
E	THR38
E	SER39
E	HIS72
E	VAL73
E	LYS74
E	ALA75
F	MSE1
F	PHE4
F	HIS46
F	VAL65
F	VAL66
F	ASN94
F	ARG95
F	VAL119
F	PRO120
F	LYS123
F	LEU127
F	HOH202
F	HOH207
F	HOH211
F	HOH224
F	HOH226
F	HOH227

---

site_id	AC9
Number of Residues	30
Details	BINDING SITE FOR RESIDUE MLC G 200

Chain	Residue
E	ARG95
E	MLC200
E	HOH208
F	ARG71
F	LYS108
G	MSE2
G	PHE4
G	HIS46
G	TYR61
G	VAL64
G	VAL65
G	VAL66
G	ASN94
G	ARG95
G	PRO120
G	LYS123
G	HOH209
G	HOH214
G	HOH215
H	TRP24
H	GLU26
H	VAL36
H	ALA37
H	THR38
H	SER39
H	HIS72
H	VAL73
H	LYS74
H	ALA75
H	HOH207

---

site_id	BC1
Number of Residues	29
Details	BINDING SITE FOR RESIDUE MLC H 200

Chain	Residue
A	ARG71
A	VAL73
A	LYS108
B	GLU67
B	ARG95
B	MLC200
G	TRP24
G	GLU26
G	VAL36
G	ALA37
G	THR38
G	SER39
G	HIS72
G	VAL73
G	ALA75
H	MSE2
H	PHE4
H	HIS46
H	TYR61
H	VAL64
H	VAL65
H	VAL66
H	ASN94
H	ARG95
H	ILE118
H	VAL119
H	PRO120
H	LYS123
H	LEU127

---