Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6SMT

S-enantioselective imine reductase 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	0050661	molecular_function	NADP binding
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
B	0050661	molecular_function	NADP binding
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
C	0050661	molecular_function	NADP binding
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
D	0050661	molecular_function	NADP binding
E	0000166	molecular_function	nucleotide binding
E	0016491	molecular_function	oxidoreductase activity
E	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	34
Details	binding site for residue NDP A 301

Chain	Residue
A	GLY11
A	ASN67
A	VAL68
A	VAL69
A	ALA73
A	SER94
A	SER95
A	ILE120
A	THR122
A	FMT302
A	2EH305
A	LEU12
A	HOH433
A	HOH450
A	HOH453
A	HOH474
A	HOH485
A	HOH494
A	HOH555
A	HOH564
A	HOH576
A	HOH621
A	GLY13
A	HOH638
B	SER232
B	SER237
B	HOH564
B	HOH574
A	PRO14
A	MET15
A	ASN34
A	ARG35
A	THR36
A	LYS39

site_id	AC2
Number of Residues	8
Details	binding site for residue FMT A 302

Chain	Residue
A	LEU93
A	SER95
A	ALA119
A	ILE120
A	ASP170
A	NDP301
A	HOH412
A	HOH477

site_id	AC3
Number of Residues	6
Details	binding site for residue FMT A 303

Chain	Residue
A	SER213
A	PRO214
A	THR217
A	HOH416
A	HOH463
A	HOH653

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

Chain	Residue
A	ALA247
A	GLU251
A	HOH528
A	HOH544
A	HOH776
B	HOH428

site_id	AC5
Number of Residues	4
Details	binding site for residue 2EH A 305

Chain	Residue
A	MET121
A	NDP301
A	HOH543
A	HOH576

site_id	AC6
Number of Residues	7
Details	binding site for residue GOL A 306

Chain	Residue
A	ILE215
A	GLU218
A	SER232
A	GLU278
B	2EH303
B	HOH406
B	HOH473

site_id	AC7
Number of Residues	34
Details	binding site for residue NDP B 301

Chain	Residue
A	SER232
A	SER237
B	GLY11
B	LEU12
B	GLY13
B	PRO14
B	MET15
B	ASN34
B	ARG35
B	THR36
B	LYS39
B	ASN67
B	VAL68
B	VAL69
B	ALA73
B	SER94
B	SER95
B	ILE120
B	THR122
B	2EH303
B	GOL304
B	HOH417
B	HOH446
B	HOH473
B	HOH485
B	HOH487
B	HOH516
B	HOH524
B	HOH546
B	HOH552
B	HOH561
B	HOH572
B	HOH580
B	HOH591

site_id	AC8
Number of Residues	3
Details	binding site for residue FMT B 302

Chain	Residue
B	LEU107
B	ASN110
B	VAL111

site_id	AC9
Number of Residues	6
Details	binding site for residue 2EH B 303

Chain	Residue
A	GOL306
B	MET121
B	PHE177
B	NDP301
B	HOH483
B	HOH561

site_id	AD1
Number of Residues	5
Details	binding site for residue GOL B 304

Chain	Residue
B	TRP33
B	ALA76
B	NDP301
B	HOH531
B	HOH546

site_id	AD2
Number of Residues	32
Details	binding site for residue NDP C 301

Chain	Residue
C	LEU12
C	GLY13
C	PRO14
C	MET15
C	ASN34
C	ARG35
C	THR36
C	LYS39
C	ASN67
C	VAL68
C	VAL69
C	ALA73
C	SER94
C	SER95
C	ILE120
C	THR122
C	2EH304
C	HOH440
C	HOH469
C	HOH481
C	HOH491
C	HOH499
C	HOH509
C	HOH549
C	HOH560
C	HOH561
C	HOH572
C	HOH598
C	HOH599
C	HOH657
D	SER232
D	SER237

site_id	AD3
Number of Residues	7
Details	binding site for residue FMT C 302

Chain	Residue
C	PRO123
C	ASP125
C	HOH402
C	HOH427
C	HOH432
D	PRO214
D	HOH476

site_id	AD4
Number of Residues	4
Details	binding site for residue EDO C 303

Chain	Residue
A	GLY109
A	ASN110
A	VAL111
A	GLY112

site_id	AD5
Number of Residues	6
Details	binding site for residue 2EH C 304

Chain	Residue
C	MET121
C	LEU174
C	PHE177
C	NDP301
C	HOH547
C	HOH549

site_id	AD6
Number of Residues	34
Details	binding site for residue NDP D 301

Chain	Residue
C	SER232
C	SER237
D	GLY11
D	LEU12
D	GLY13
D	PRO14
D	MET15
D	ASN34
D	ARG35
D	THR36
D	LYS39
D	ASN67
D	VAL68
D	VAL69
D	ALA73
D	SER94
D	SER95
D	ILE120
D	THR122
D	FMT302
D	2EH306
D	GOL307
D	HOH439
D	HOH440
D	HOH475
D	HOH492
D	HOH508
D	HOH526
D	HOH577
D	HOH586
D	HOH590
D	HOH596
D	HOH625
D	HOH656

site_id	AD7
Number of Residues	8
Details	binding site for residue FMT D 302

Chain	Residue
D	LEU93
D	SER95
D	ALA119
D	ILE120
D	ASP170
D	NDP301
D	HOH409
D	HOH481

site_id	AD8
Number of Residues	7
Details	binding site for residue FMT D 303

Chain	Residue
C	PRO214
D	PRO123
D	ASP125
D	HOH405
D	HOH408
D	HOH424
D	HOH488

site_id	AD9
Number of Residues	7
Details	binding site for residue FMT D 304

Chain	Residue
C	HOH411
D	THR97
D	ASP99
D	ARG100
D	HOH422
D	HOH527
D	HOH642

site_id	AE1
Number of Residues	4
Details	binding site for residue FMT D 305

Chain	Residue
D	SER133
D	HOH434
D	HOH447
D	HOH466

site_id	AE2
Number of Residues	4
Details	binding site for residue 2EH D 306

Chain	Residue
D	MET121
D	NDP301
D	HOH536
D	HOH586

site_id	AE3
Number of Residues	5
Details	binding site for residue GOL D 307

Chain	Residue
D	TRP33
D	ALA76
D	ALA80
D	NDP301
D	HOH587

site_id	AE4
Number of Residues	32
Details	binding site for residue NDP E 301

Chain	Residue
E	GLY11
E	LEU12
E	GLY13
E	PRO14
E	MET15
E	ASN34
E	ARG35
E	THR36
E	LYS39
E	ASN67
E	VAL68
E	VAL69
E	ALA73
E	SER94
E	SER95
E	ILE120
E	THR122
E	SER232
E	SER237
E	FMT305
E	2EH308
E	HOH448
E	HOH453
E	HOH455
E	HOH487
E	HOH523
E	HOH551
E	HOH556
E	HOH578
E	HOH579
E	HOH583
E	HOH638

site_id	AE5
Number of Residues	6
Details	binding site for residue PEG E 302

Chain	Residue
E	SER133
E	GLN155
E	PRO203
E	HOH407
E	HOH673
E	HOH681

site_id	AE6
Number of Residues	5
Details	binding site for residue FMT E 303

Chain	Residue
A	GLU37
A	SER38
E	ARG114
E	HOH609
E	HOH616

site_id	AE7
Number of Residues	7
Details	binding site for residue FMT E 304

Chain	Residue
E	PRO123
E	ASP125
E	PRO214
E	HOH409
E	HOH417
E	HOH418
E	HOH498

site_id	AE8
Number of Residues	8
Details	binding site for residue FMT E 305

Chain	Residue
E	LEU93
E	SER95
E	ALA119
E	ILE120
E	ASP170
E	NDP301
E	HOH441
E	HOH462

site_id	AE9
Number of Residues	8
Details	binding site for residue FMT E 306

Chain	Residue
C	ASP75
C	ARG103
C	HOH436
C	HOH609
E	HOH410
E	HOH435
E	HOH439
E	HOH449

site_id	AF1
Number of Residues	7
Details	binding site for residue EDO E 307

Chain	Residue
E	ALA105
E	ARG114
E	TYR115
E	HIS163
E	HOH421
E	HOH594
E	HOH619

site_id	AF2
Number of Residues	4
Details	binding site for residue 2EH E 308

Chain	Residue
E	MET121
E	NDP301
E	HOH468
E	HOH556

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)