4OL9

Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0008677	molecular_function	2-dehydropantoate 2-reductase activity
A	0015940	biological_process	pantothenate biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NAP A 301

Chain	Residue
A	GLY9
A	ALA72
A	VAL73
A	LYS74
A	GLN77
A	ALA80
A	TRP84
A	LEU98
A	GLN99
A	ASN100
A	VAL122
A	PRO10
A	CYS124
A	ALA126
A	SER246
A	ARG255
A	GLU258
A	OXM302
A	ACT303
A	HOH409
A	HOH444
A	HOH503
A	GLY11
A	HOH516
A	HOH579
A	HOH580
A	HOH619
A	HOH620
A	HOH659
A	ALA12
A	VAL13
A	CYS31
A	GLY32
A	HIS33
A	THR34

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE OXM A 302

Chain	Residue
A	ASN100
A	CYS124
A	LYS177
A	ASN181
A	THR245
A	SER246
A	ARG262
A	NAP301
A	HOH580

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT A 303

Chain	Residue
A	PRO10
A	THR34
A	VAL55
A	NAP301
A	HOH620

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 304

Chain	Residue
A	ARG158
A	ARG198
A	GLN241

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 305

Chain	Residue
A	ARG199
A	ASP200
A	ASP201
A	HOH590

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000250|UniProtKB:P0A9J4

Chain	Residue	Details
A	LYS177

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|Ref.4, ECO:0007744|PDB:4OL9

Chain	Residue	Details
A	PRO10
A	HIS33
A	LYS74
A	TRP84
A	ALA126
A	ARG255

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P0A9J4

Chain	Residue	Details
A	ASN100
A	ASN181
A	SER246

---