3R5W

Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016491	molecular_function	oxidoreductase activity
B	0016491	molecular_function	oxidoreductase activity
C	0016491	molecular_function	oxidoreductase activity
D	0016491	molecular_function	oxidoreductase activity
E	0016491	molecular_function	oxidoreductase activity
K	0016491	molecular_function	oxidoreductase activity
L	0016491	molecular_function	oxidoreductase activity
M	0016491	molecular_function	oxidoreductase activity
N	0016491	molecular_function	oxidoreductase activity
O	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	27
Details	BINDING SITE FOR RESIDUE F42 A 201

Chain	Residue
A	GLY53
A	ALA77
A	SER78
A	LYS79
A	PRO86
A	MET87
A	TRP88
A	ASN91
A	TYR133
A	HOH303
A	HOH305
A	ARG54
A	HOH314
A	HOH325
A	HOH332
A	HOH335
A	HOH401
M	PRO45
M	VAL46
M	LYS104
A	LYS55
A	THR56
A	ARG60
A	PRO63
A	LEU64
A	TYR65
A	ALA76

---

site_id	AC2
Number of Residues	26
Details	BINDING SITE FOR RESIDUE F42 B 201

Chain	Residue
B	GLY53
B	ARG54
B	LYS55
B	THR56
B	ARG60
B	PRO63
B	LEU64
B	TYR65
B	ALA76
B	ALA77
B	SER78
B	LYS79
B	PRO86
B	MET87
B	TRP88
B	ASN91
B	TYR133
B	HOH306
B	HOH309
B	HOH314
B	HOH320
B	HOH375
B	HOH376
B	HOH399
N	PRO45
N	VAL46

---

site_id	AC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE F42 C 201

Chain	Residue
C	GLY53
C	ARG54
C	LYS55
C	THR56
C	ARG60
C	PRO63
C	LEU64
C	TYR65
C	ALA76
C	ALA77
C	SER78
C	LYS79
C	PRO86
C	MET87
C	TRP88
C	ASN91
C	TYR133
C	HOH306
C	HOH315
C	HOH316
C	HOH320
C	HOH382
K	PRO45
K	VAL46
K	LYS104

---

site_id	AC4
Number of Residues	29
Details	BINDING SITE FOR RESIDUE F42 D 201

Chain	Residue
D	HOH340
D	HOH376
D	HOH416
D	HOH421
D	HOH423
L	PRO45
L	VAL46
L	LYS104
D	GLY53
D	ARG54
D	LYS55
D	THR56
D	ARG60
D	PRO63
D	LEU64
D	TYR65
D	ALA76
D	ALA77
D	SER78
D	LYS79
D	PRO86
D	MET87
D	TRP88
D	ASN91
D	TYR133
D	HOH305
D	HOH308
D	HOH317
D	HOH322

---

site_id	AC5
Number of Residues	25
Details	BINDING SITE FOR RESIDUE F42 E 201

Chain	Residue
E	GLY53
E	ARG54
E	LYS55
E	THR56
E	ARG60
E	ASN62
E	PRO63
E	LEU64
E	TYR65
E	ALA76
E	ALA77
E	SER78
E	LYS79
E	PRO86
E	MET87
E	TRP88
E	ASN91
E	TYR133
E	HOH306
E	HOH313
E	HOH340
E	HOH389
O	PRO45
O	VAL46
O	LYS104

---

site_id	AC6
Number of Residues	26
Details	BINDING SITE FOR RESIDUE F42 K 201

Chain	Residue
C	PRO45
C	VAL46
C	LYS104
K	GLY53
K	ARG54
K	LYS55
K	THR56
K	ARG60
K	PRO63
K	LEU64
K	TYR65
K	ALA76
K	ALA77
K	SER78
K	LYS79
K	PRO86
K	MET87
K	TRP88
K	ASN91
K	TYR133
K	HOH305
K	HOH306
K	HOH313
K	HOH317
K	HOH324
K	HOH422

---

site_id	AC7
Number of Residues	26
Details	BINDING SITE FOR RESIDUE F42 L 201

Chain	Residue
D	PRO45
D	VAL46
D	LYS104
D	HOH374
L	GLY53
L	ARG54
L	LYS55
L	THR56
L	ARG60
L	ASN62
L	PRO63
L	LEU64
L	TYR65
L	ALA76
L	ALA77
L	SER78
L	LYS79
L	PRO86
L	MET87
L	TRP88
L	ASN91
L	TYR133
L	HOH310
L	HOH316
L	HOH402
L	HOH403

---

site_id	AC8
Number of Residues	28
Details	BINDING SITE FOR RESIDUE F42 M 201

Chain	Residue
A	PRO45
A	VAL46
A	LYS104
M	GLY53
M	ARG54
M	LYS55
M	THR56
M	ARG60
M	ASN62
M	PRO63
M	LEU64
M	TYR65
M	ALA76
M	ALA77
M	SER78
M	LYS79
M	PRO86
M	MET87
M	TRP88
M	LEU90
M	ASN91
M	TYR133
M	HOH310
M	HOH312
M	HOH313
M	HOH394
M	HOH402
M	HOH426

---

site_id	AC9
Number of Residues	26
Details	BINDING SITE FOR RESIDUE F42 N 201

Chain	Residue
B	PRO45
B	VAL46
B	LYS104
N	GLY53
N	ARG54
N	LYS55
N	THR56
N	ARG60
N	PRO63
N	LEU64
N	TYR65
N	ALA76
N	ALA77
N	SER78
N	LYS79
N	PRO86
N	MET87
N	TRP88
N	ASN91
N	TYR133
N	HOH306
N	HOH310
N	HOH311
N	HOH314
N	HOH327
N	HOH411

---

site_id	BC1
Number of Residues	26
Details	BINDING SITE FOR RESIDUE F42 O 201

Chain	Residue
E	PRO45
E	VAL46
E	LYS104
O	GLY53
O	ARG54
O	LYS55
O	THR56
O	ARG60
O	PRO63
O	LEU64
O	TYR65
O	ALA76
O	ALA77
O	SER78
O	LYS79
O	PRO86
O	MET87
O	TRP88
O	ASN91
O	TYR133
O	HOH305
O	HOH316
O	HOH325
O	HOH326
O	HOH328
O	HOH396

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	50
Details	BINDING: BINDING => ECO:0000305|PubMed:22244759, ECO:0007744|PDB:3R5W

Chain	Residue	Details
A	ARG54
B	TYR133
C	ARG54
C	ARG60
C	ALA76
C	MET87
C	TYR133
D	ARG54
D	ARG60
D	ALA76
D	MET87
A	ARG60
D	TYR133
E	ARG54
E	ARG60
E	ALA76
E	MET87
E	TYR133
K	ARG54
K	ARG60
K	ALA76
K	MET87
A	ALA76
K	TYR133
L	ARG54
L	ARG60
L	ALA76
L	MET87
L	TYR133
M	ARG54
M	ARG60
M	ALA76
M	MET87
A	MET87
M	TYR133
N	ARG54
N	ARG60
N	ALA76
N	MET87
N	TYR133
O	ARG54
O	ARG60
O	ALA76
O	MET87
A	TYR133
O	TYR133
B	ARG54
B	ARG60
B	ALA76
B	MET87

---