6YUU

Crystal structure of M. tuberculosis InhA inhibited by SKTS1

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	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
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	33
Details	binding site for residue NAD A 301

Chain	Residue
A	GLY14
A	SER94
A	ILE95
A	GLY96
A	ILE122
A	MET147
A	ASP148
A	PHE149
A	LYS165
A	ALA191
A	GLY192
A	ILE15
A	PRO193
A	ILE194
A	THR196
A	ALA198
A	F9T302
A	HOH421
A	HOH449
A	HOH450
A	HOH486
A	HOH493
A	ILE16
A	HOH499
A	HOH545
A	HOH560
A	HOH570
A	SER20
A	ILE21
A	PHE41
A	LEU63
A	ASP64
A	VAL65

---

site_id	AC2
Number of Residues	11
Details	binding site for residue F9T A 302

Chain	Residue
A	GLY96
A	PHE97
A	MET98
A	GLN100
A	MET103
A	PRO156
A	TYR158
A	MET161
A	ALA198
A	GLY204
A	NAD301

---

site_id	AC3
Number of Residues	4
Details	binding site for residue CL A 303

Chain	Residue
A	ARG53
A	ARG195
A	MET232
A	HOH543

---

site_id	AC4
Number of Residues	1
Details	binding site for residue CL A 304

Chain	Residue
A	PRO251

---

site_id	AC5
Number of Residues	2
Details	binding site for residue CL A 305

Chain	Residue
A	GLU62
A	ARG77

---

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

Chain	Residue
A	GLU69
A	SER73

---

site_id	AC7
Number of Residues	3
Details	binding site for residue CL A 307

Chain	Residue
A	LEU44
A	ARG45
A	HOH606

---

site_id	AC8
Number of Residues	6
Details	binding site for residue NA A 308

Chain	Residue
A	ASP223
A	GLN224
A	ALA226
A	HOH601
A	HOH629
A	HOH630

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10336454","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16647717","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7886450","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1BVR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ENY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2AQ8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10336454","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Site: {"description":"May act as an intermediate that passes the hydride ion from NADH to the substrate","evidences":[{"source":"PubMed","id":"10336454","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Site: {"description":"Transition state stabilizer","evidences":[{"source":"PubMed","id":"10521269","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"20864541","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21143326","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---