4NEC

Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008168	molecular_function	methyltransferase activity
A	0016740	molecular_function	transferase activity
A	0032259	biological_process	methylation
B	0008168	molecular_function	methyltransferase activity
B	0016740	molecular_function	transferase activity
B	0032259	biological_process	methylation
C	0008168	molecular_function	methyltransferase activity
C	0016740	molecular_function	transferase activity
C	0032259	biological_process	methylation
D	0008168	molecular_function	methyltransferase activity
D	0016740	molecular_function	transferase activity
D	0032259	biological_process	methylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE SAH A 401

Chain	Residue
A	PHE5
A	ASP94
A	ALA95
A	SER111
A	GLY112
A	LEU113
A	HOH503
A	HOH543
A	HOH545
A	HOH548
A	HOH550
A	TYR9
E	N2C3
A	TRP21
A	GLY47
A	CYS48
A	GLY49
A	ASP68
A	LEU69
A	ALA93

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGE A 402

Chain	Residue
A	GLU91
A	VAL92
A	ALA93
A	ASP94
A	ASP97
A	LEU98
A	THR99
A	TRP101
C	SER228

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 403

Chain	Residue
A	ALA157
A	ILE160
A	ASP161
A	ILE163

---

site_id	AC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE SAH B 401

Chain	Residue
B	PHE5
B	TYR9
B	TRP21
B	GLY47
B	CYS48
B	GLY49
B	ASP68
B	LEU69
B	ALA93
B	ASP94
B	ALA95
B	SER111
B	GLY112
B	LEU113
B	HOH503
B	HOH565
B	HOH569
B	HOH571
B	HOH574
B	HOH576
F	N2C3

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT B 402

Chain	Residue
B	ALA114
B	PHE117
B	LEU122
B	ARG178
B	HIS182
B	LEU183
B	HOH532

---

site_id	AC6
Number of Residues	22
Details	BINDING SITE FOR RESIDUE SAH C 401

Chain	Residue
C	PHE5
C	TYR9
C	TRP21
C	GLY47
C	CYS48
C	GLY49
C	ASP68
C	LEU69
C	ALA93
C	ASP94
C	ALA95
C	SER111
C	GLY112
C	LEU113
C	HOH558
C	HOH559
C	HOH563
C	HOH564
C	HOH566
C	HOH572
C	HOH576
G	N2C3

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 402

Chain	Residue
C	ALA157
C	ILE160
C	ASP161
C	ILE163

---

site_id	AC8
Number of Residues	22
Details	BINDING SITE FOR RESIDUE SAH D 401

Chain	Residue
D	SER111
D	GLY112
D	LEU113
D	PGE404
D	HOH579
D	HOH581
D	HOH583
D	HOH588
D	HOH591
H	N2C3
D	MET1
D	PHE5
D	TYR9
D	TRP21
D	GLY47
D	CYS48
D	GLY49
D	ASP68
D	LEU69
D	ALA93
D	ASP94
D	ALA95

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 15P D 402

Chain	Residue
D	GLU3
D	VAL4
D	ALA7
D	ARG10
D	HOH592
H	MVA8

---

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 15P D 403

Chain	Residue
A	GLU210
A	LEU211
D	GLY41
D	ALA42
D	GLY61
D	ALA63
D	VAL64
D	THR65
D	ASP106
D	HOH574

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGE D 404

Chain	Residue
D	ASP45
D	ALA46
D	GLY47
D	ASP110
D	SER111
D	GLY112
D	LEU113
D	SAH401
D	HOH588

---

site_id	BC3
Number of Residues	14
Details	BINDING SITE FOR LINKED RESIDUES E 1 to 102

Chain	Residue
A	MET1
A	PHE5
A	PHE15
A	TRP21
A	HIS115
A	THR116
A	GLU118
A	ILE144
A	GLN153
A	PRO164
A	SAH401
D	GLY119
D	ASP120
D	THR175

---

site_id	BC4
Number of Residues	20
Details	BINDING SITE FOR LINKED RESIDUES F 1 to 102

Chain	Residue
B	MET1
B	PHE15
B	PRO20
B	TRP21
B	HIS115
B	THR116
B	ILE144
B	SER149
B	GLN153
B	ILE163
B	ALA165
B	LEU167
B	LEU176
B	ARG178
B	SAH401
B	HOH523
B	HOH557
C	ASP161
C	GLU162
F	HOH201

---

site_id	BC5
Number of Residues	17
Details	BINDING SITE FOR LINKED RESIDUES G 1 to 102

Chain	Residue
B	GLU118
B	ASP120
B	THR175
C	MET1
C	PHE15
C	PRO20
C	TRP21
C	HIS115
C	THR116
C	ILE144
C	SER149
C	GLN153
C	ILE163
C	ARG178
C	SAH401
G	HOH201
G	HOH202

---

site_id	BC6
Number of Residues	19
Details	BINDING SITE FOR LINKED RESIDUES H 1 to 102

Chain	Residue
A	ASP161
D	VAL4
D	PHE5
D	PHE15
D	PRO20
D	TRP21
D	HIS115
D	THR116
D	SER149
D	GLN153
D	ILE163
D	PRO164
D	ALA165
D	LEU176
D	ARG178
D	SAH401
D	15P402
D	HOH506
H	HOH201

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