4WEC

Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	30
Details	binding site for residue NAD A 301

Chain	Residue
A	GLY16
A	VAL62
A	ASN88
A	GLY90
A	THR140
A	ALA141
A	SER142
A	TYR156
A	LYS160
A	PRO186
A	GLY187
A	ALA18
A	PRO188
A	VAL189
A	HOH471
A	HOH542
A	HOH560
A	HOH610
A	HOH613
A	HOH617
A	HOH657
A	HOH709
A	SER19
A	HOH713
A	GLY20
A	ILE21
A	ASP40
A	ILE41
A	VAL60
A	ASP61

---

site_id	AC2
Number of Residues	6
Details	binding site for residue ZN A 302

Chain	Residue
A	HIS211
A	HOH635
A	HOH636
D	HIS211
D	HOH542
D	HOH543

---

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

Chain	Residue
A	SER92
A	HOH525
A	HOH626
A	HOH719

---

site_id	AC4
Number of Residues	6
Details	binding site for residue EDO A 304

Chain	Residue
A	ASN190
A	GLN195
A	PHE198
A	ARG216
A	PHE217
A	HOH658

---

site_id	AC5
Number of Residues	10
Details	binding site for residue EDO A 305

Chain	Residue
A	SER241
A	THR242
A	PHE243
A	LEU244
A	HOH637
C	SER241
C	THR242
C	PHE243
C	LEU244
C	HOH480

---

site_id	AC6
Number of Residues	32
Details	binding site for residue NAD B 301

Chain	Residue
B	GLY16
B	SER19
B	GLY20
B	ILE21
B	ASP40
B	ILE41
B	VAL60
B	ASP61
B	VAL62
B	ASN88
B	GLY90
B	ILE113
B	THR140
B	ALA141
B	SER142
B	TYR156
B	LYS160
B	PRO186
B	GLY187
B	PRO188
B	VAL189
B	HOH417
B	HOH458
B	HOH459
B	HOH539
B	HOH569
B	HOH575
B	HOH577
B	HOH591
B	HOH610
B	HOH614
B	HOH625

---

site_id	AC7
Number of Residues	4
Details	binding site for residue MG B 302

Chain	Residue
B	SER92
B	HOH528
B	HOH574
B	HOH676

---

site_id	AC8
Number of Residues	7
Details	binding site for residue EDO B 303

Chain	Residue
B	ASN190
B	GLN195
B	PHE198
B	ARG216
B	PHE217
B	HOH568
B	HOH669

---

site_id	AC9
Number of Residues	6
Details	binding site for residue ZN B 304

Chain	Residue
B	HIS211
B	HOH584
B	HOH586
C	HIS211
C	HOH553
C	HOH554

---

site_id	AD1
Number of Residues	8
Details	binding site for residue EDO B 305

Chain	Residue
B	SER241
B	THR242
B	LEU244
B	HOH542
D	SER241
D	THR242
D	PHE243
D	LEU244

---

site_id	AD2
Number of Residues	29
Details	binding site for residue NAD C 301

Chain	Residue
C	GLY16
C	SER19
C	GLY20
C	ILE21
C	ASP40
C	ILE41
C	VAL60
C	ASP61
C	VAL62
C	ASN88
C	GLY90
C	ILE113
C	THR140
C	ALA141
C	SER142
C	TYR156
C	LYS160
C	PRO186
C	GLY187
C	PRO188
C	VAL189
C	HOH468
C	HOH507
C	HOH515
C	HOH524
C	HOH543
C	HOH548
C	HOH625
C	HOH629

---

site_id	AD3
Number of Residues	4
Details	binding site for residue MG C 302

Chain	Residue
C	SER92
C	HOH497
C	HOH577
C	HOH593

---

site_id	AD4
Number of Residues	6
Details	binding site for residue EDO C 303

Chain	Residue
C	ASN190
C	GLN195
C	PHE198
C	PHE217
C	HOH520
C	HOH544

---

site_id	AD5
Number of Residues	24
Details	binding site for residue NAD D 301

Chain	Residue
D	GLY16
D	SER19
D	GLY20
D	ILE21
D	ASP40
D	ILE41
D	VAL60
D	ASP61
D	VAL62
D	ASN88
D	GLY90
D	THR140
D	ALA141
D	TYR156
D	LYS160
D	PRO186
D	GLY187
D	PRO188
D	VAL189
D	HOH461
D	HOH505
D	HOH507
D	HOH512
D	HOH548

---

site_id	AD6
Number of Residues	1
Details	binding site for residue MG D 302

Chain	Residue
D	SER92

---

site_id	AD7
Number of Residues	3
Details	binding site for residue EDO D 303

Chain	Residue
D	ASN190
D	GLN195
D	PHE217

---