6EP8

InhA Y158F mutant in complex with NADH from Mycobacterium tuberculosis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
A	0005504	molecular_function	fatty acid binding
A	0005886	cellular_component	plasma membrane
A	0006633	biological_process	fatty acid biosynthetic process
A	0009274	cellular_component	peptidoglycan-based cell wall
A	0016491	molecular_function	oxidoreductase activity
A	0030497	biological_process	fatty acid elongation
A	0046677	biological_process	response to antibiotic
A	0050343	molecular_function	trans-2-enoyl-CoA reductase (NADH) activity
A	0070403	molecular_function	NAD+ binding
A	0071768	biological_process	mycolic acid biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue NA A 301

Chain	Residue
A	ASP223
A	GLN224
A	ALA226
A	HOH595
A	HOH598
A	HOH605

---

site_id	AC2
Number of Residues	35
Details	binding site for residue NAD A 302

Chain	Residue
A	SER20
A	ILE21
A	PHE41
A	LEU63
A	ASP64
A	VAL65
A	SER94
A	ILE95
A	GLY96
A	ILE122
A	MET147
A	ASP148
A	PHE149
A	LYS165
A	ALA191
A	GLY192
A	PRO193
A	ILE194
A	THR196
A	HOH418
A	HOH423
A	HOH443
A	HOH504
A	HOH510
A	HOH511
A	HOH514
A	HOH520
A	HOH528
A	HOH551
A	HOH552
A	HOH576
A	HOH578
A	GLY14
A	ILE15
A	ILE16

---

site_id	AC3
Number of Residues	2
Details	binding site for residue NA A 303

Chain	Residue
A	SER19
A	HIS24

---

site_id	AC4
Number of Residues	5
Details	binding site for residue NA A 304

Chain	Residue
A	GLN30
A	ALA34
A	LEU36
A	LYS57
A	HOH480

---

site_id	AC5
Number of Residues	5
Details	binding site for residue NA A 305

Chain	Residue
A	GLU68
A	LEU71
A	HOH461
A	HOH548
A	HOH601

---

site_id	AC6
Number of Residues	2
Details	binding site for residue GOL A 306

Chain	Residue
A	GLN30
A	HOH462

---

site_id	AC7
Number of Residues	7
Details	binding site for residue GOL A 307

Chain	Residue
A	THR2
A	LEU4
A	GLN32
A	TRP249
A	HOH403
A	HOH485
A	HOH488

---

site_id	AC8
Number of Residues	3
Details	binding site for residue GOL A 308

Chain	Residue
A	LEU61
A	GLU62
A	ARG77

---

site_id	AC9
Number of Residues	8
Details	binding site for residue GOL A 309

Chain	Residue
A	GLY141
A	GLY183
A	PRO251
A	HOH471
A	HOH479
A	HOH508
A	HOH543
A	HOH549

---

site_id	AD1
Number of Residues	6
Details	binding site for residue GOL A 310

Chain	Residue
A	GLU68
A	PHE109
A	ASP110
A	PRO112
A	TYR125
A	LYS132

---

site_id	AD2
Number of Residues	5
Details	binding site for residue GOL A 311

Chain	Residue
A	ASP42
A	ARG43
A	LEU44
A	ARG45
A	LEU46

---

site_id	AD3
Number of Residues	1
Details	binding site for residue MPD A 312

Chain	Residue
A	LYS181

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	BINDING: BINDING => ECO:0000269|PubMed:10336454, ECO:0000269|PubMed:16647717, ECO:0000269|PubMed:7886450, ECO:0007744|PDB:1BVR, ECO:0007744|PDB:1ENY, ECO:0007744|PDB:2AQ8

Chain	Residue	Details
A	SER20
A	ASP64
A	ILE95
A	LYS165
A	ILE194

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:10336454

Chain	Residue	Details
A	PHE158

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	SITE: May act as an intermediate that passes the hydride ion from NADH to the substrate => ECO:0000305|PubMed:10336454

Chain	Residue	Details
A	PHE149

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	SITE: Transition state stabilizer => ECO:0000305|PubMed:10521269

Chain	Residue	Details
A	PHE158

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphothreonine => ECO:0000269|PubMed:20864541, ECO:0000269|PubMed:21143326

Chain	Residue	Details
A	THR266

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