Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4CBB

APO FORM OF BETAINE ALDEHYDE DEHYDROGENASE FROM Pseudomonas aeruginosa

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
A	0019285	biological_process	glycine betaine biosynthetic process from choline
A	0046872	molecular_function	metal ion binding
B	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
B	0016491	molecular_function	oxidoreductase activity
B	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B	0019285	biological_process	glycine betaine biosynthetic process from choline
B	0046872	molecular_function	metal ion binding
C	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
C	0016491	molecular_function	oxidoreductase activity
C	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C	0019285	biological_process	glycine betaine biosynthetic process from choline
C	0046872	molecular_function	metal ion binding
D	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
D	0016491	molecular_function	oxidoreductase activity
D	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D	0019285	biological_process	glycine betaine biosynthetic process from choline
D	0046872	molecular_function	metal ion binding
E	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
E	0016491	molecular_function	oxidoreductase activity
E	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
E	0019285	biological_process	glycine betaine biosynthetic process from choline
E	0046872	molecular_function	metal ion binding
F	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
F	0016491	molecular_function	oxidoreductase activity
F	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
F	0019285	biological_process	glycine betaine biosynthetic process from choline
F	0046872	molecular_function	metal ion binding
G	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
G	0016491	molecular_function	oxidoreductase activity
G	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
G	0019285	biological_process	glycine betaine biosynthetic process from choline
G	0046872	molecular_function	metal ion binding
H	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
H	0016491	molecular_function	oxidoreductase activity
H	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
H	0019285	biological_process	glycine betaine biosynthetic process from choline
H	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DTT A 1491

Chain	Residue
A	GLY229
A	GLY230
A	LEU253
A	GLY254
A	CYS286
A	GLU387
A	PHE389

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DTT B 1491

Chain	Residue
B	LEU253
B	GLY254
B	CYS286
B	GLU387
B	PHE389
B	GLY229
B	GLY230

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DTT C 1491

Chain	Residue
C	GLY229
C	GLY230
C	LEU253
C	GLY254
C	CYS286
C	GLU387
C	PHE389

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DTT D 1491

Chain	Residue
D	GLY229
D	GLY230
D	CYS286
D	GLU387
D	PHE389

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DTT E 1491

Chain	Residue
E	GLY229
E	GLY230
E	LEU253
E	GLY254
E	CYS286
E	GLU387
E	PHE389

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DTT F 1491

Chain	Residue
F	GLY229
F	GLY230
F	CYS286
F	GLU387
F	PHE389

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DTT G 1491

Chain	Residue
G	GLY229
G	GLY230
G	LEU253
G	GLY254
G	CYS286
G	GLU387
G	HOH2479

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DTT H 1491

Chain	Residue
H	GLY229
H	GLY230
H	LEU253
H	CYS286
H	GLU387
H	PHE389

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO B 1492

Chain	Residue
B	SER336
B	GLY339

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO F 1492

Chain	Residue
F	GLU252
F	VAL453
F	GOL1494
F	HOH2302
F	HOH2303
F	HOH2422

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO E 1492

Chain	Residue
E	TRP161
E	GLU252
E	CYS286
E	VAL453
E	GOL1494
E	HOH2338
E	HOH2363
E	HOH2490

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO C 1492

Chain	Residue
A	HOH2533
C	ARG269
C	ASN442
D	GLU482
D	GLY484

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO G 1492

Chain	Residue
G	TRP161
G	GLU252
G	LEU415
G	GOL1497
G	HOH2300
G	HOH2448

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO C 1493

Chain	Residue
C	GLU252
C	VAL453
C	GOL1495
C	HOH2266
C	HOH2396
C	HOH2431

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 1492

Chain	Residue
D	ARG131
D	THR133
D	GLU482
D	GLY484
D	ASP485

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO G 1493

Chain	Residue
G	ILE149
G	GLY150
G	LYS176
G	PRO177
G	SER178
G	GLY209
G	HOH2254
G	HOH2482

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1492

Chain	Residue
A	ASP410
A	HOH2498
G	HOH2004
A	ASP379
A	ASP380

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 1493

Chain	Residue
D	MET276
D	GLY445
D	PE41494
D	HOH2283
D	HOH2373

site_id	CC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PE4 D 1494

Chain	Residue
C	VAL489
D	SER103
D	VAL104
D	MET276
D	GLU446
D	EDO1493
D	K1499
D	HOH2390

site_id	CC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PE4 A 1493

Chain	Residue
A	VAL104
A	TRP444
A	GLY445
A	GLU446
A	GOL1494
A	K1499
A	HOH2553
A	HOH2594
A	HOH2595
A	HOH2596
B	TYR486
B	VAL489

site_id	CC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PE4 B 1493

Chain	Residue
A	TYR486
A	ALA487
A	VAL489
B	VAL104
B	MET276
B	TRP444
B	GLU446
B	K1501
B	HOH2468

site_id	CC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PE4 C 1494

Chain	Residue
C	SER103
C	VAL104
C	MET276
C	PHE280
C	TRP444
C	GLY445
C	GLU446
C	K1501
C	HOH2287
D	TYR486
D	ALA487
D	VAL489

site_id	CC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PE4 E 1493

Chain	Residue
E	SER103
E	VAL104
E	MET276
E	TRP444
E	GLU446
E	K1498
E	HOH2488
E	HOH2523
F	TYR486
F	ALA487

site_id	CC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PE4 H 1492

Chain	Residue
G	TYR486
G	ALA487
G	VAL489
H	SER103
H	VAL104
H	TRP444
H	GLU446
H	K1496
H	HOH2298

site_id	CC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE PE4 G 1494

Chain	Residue
G	SER103
G	VAL104
G	MET276
G	TRP444
G	GLU446
G	K1500
G	HOH2034
G	HOH2484
H	TYR486
H	ALA487
H	VAL489

site_id	CC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PE4 F 1493

Chain	Residue
E	ALA487
E	VAL489
F	SER103
F	VAL104
F	MET276
F	TRP444
F	GLY445
F	GLU446
F	K1498
F	HOH2438

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 1494

Chain	Residue
B	TYR154
B	GLN157
B	GOL1498
B	HOH2263
B	HOH2264
B	HOH2345

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL G 1495

Chain	Residue
G	PHE4
G	GLN7
G	LYS187
G	HOH2010
G	HOH2019

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL G 1496

Chain	Residue
G	GLU401
G	ALA425
G	ARG426
G	ARG429
G	HOH2434

site_id	DC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1495

Chain	Residue
C	TYR154
C	GLN157
C	EDO1493
C	HOH2212
C	HOH2213
C	HOH2294
C	HOH2431

site_id	DC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL F 1494

Chain	Residue
F	TYR154
F	GLN157
F	VAL285
F	EDO1492
F	HOH2244
F	HOH2245
F	HOH2322
F	HOH2439

site_id	DC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL G 1497

Chain	Residue
G	GLN157
G	VAL285
G	EDO1492
G	HOH2246
G	HOH2247
G	HOH2329
G	HOH2481

site_id	DC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 1495

Chain	Residue
B	PHE4
B	GLN7
B	LYS187
B	HOH2008

site_id	DC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 1496

Chain	Residue
A	HIS432
A	LEU434
A	GLU435
A	HOH2545
B	ARG139
B	GLU141
B	LYS477
B	HOH2244

site_id	DC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1494

Chain	Residue
A	TYR154
A	GLN157
A	PE41493
A	HOH2299
A	HOH2406
A	HOH2598

site_id	DC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL H 1493

Chain	Residue
G	GLU248
G	VAL249
H	GLU248
H	VAL249

site_id	EC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 1495

Chain	Residue
D	GLN157
D	VAL285
D	HOH2202
D	HOH2204
D	HOH2284
D	HOH2393

site_id	EC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 1496

Chain	Residue
C	SER336
C	GLY339
C	TYR340

site_id	EC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 1497

Chain	Residue
B	ARG131
B	THR133
B	GLU482
B	ASP485
B	HOH2464

site_id	EC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 1498

Chain	Residue
B	TRP161
B	GLU252
B	GOL1494
B	HOH2303
B	HOH2323
B	HOH2452
B	HOH2467

site_id	EC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL F 1495

Chain	Residue
F	PHE4
F	GLN7
F	LYS187
F	HOH2006

site_id	EC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 1494

Chain	Residue
E	TYR154
E	GLN157
E	EDO1492
E	HOH2267
E	HOH2363
E	HOH2365
E	HOH2522

site_id	EC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 1496

Chain	Residue
D	PHE4
D	GLN7
D	LYS187
D	HOH2011
D	HOH2394

site_id	EC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1495

Chain	Residue
A	ALA61
A	ALA62
A	MET63
A	ARG68
A	HOH2144
A	HOH2601
C	ARG131

site_id	EC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1496

Chain	Residue
A	GLU248
A	VAL249
A	VAL461
B	GLU248
B	VAL249
B	VAL461

site_id	FC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL E 1495

Chain	Residue
A	PHE4
A	GLU5
E	SER20
E	ARG40
E	ALA41
E	SER42
E	VAL212
E	HOH2086
E	HOH2524

site_id	FC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 1497

Chain	Residue
C	GLN7
C	LYS187
C	HOH2007
C	HOH2013

site_id	FC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1498

Chain	Residue
C	GLY209
C	GLY213
C	GLN214
C	HOH2255
C	HOH2435

site_id	FC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K A 1497

Chain	Residue
A	THR26
A	ILE27
A	ASP93
A	VAL180
A	HOH2080

site_id	FC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K A 1498

Chain	Residue
A	LYS457
A	GLY460
A	HOH2564
B	LEU246
B	HOH2298

site_id	FC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K B 1499

Chain	Residue
B	THR26
B	ILE27
B	ASP93
B	VAL180
B	HOH2064
B	HOH2066

site_id	FC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K B 1500

Chain	Residue
A	LEU246
A	HOH2345
A	HOH2369
B	LYS457
B	GLY460

site_id	FC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K C 1499

Chain	Residue
C	THR26
C	ILE27
C	ASP93
C	VAL180
C	HOH2054
C	HOH2056

site_id	FC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K C 1500

Chain	Residue
C	LYS457
C	GLY460
C	HOH2400
C	HOH2403
D	LEU246
D	HOH2241

site_id	GC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K D 1497

Chain	Residue
D	THR26
D	ILE27
D	ASP93
D	VAL180
D	HOH2052

site_id	GC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K D 1498

Chain	Residue
C	LEU246
C	HOH2242
C	HOH2262
D	LYS457
D	GLY460

site_id	GC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K E 1496

Chain	Residue
E	THR26
E	ILE27
E	ASP93
E	VAL180
E	HOH2065

site_id	GC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K E 1497

Chain	Residue
E	LYS457
E	GLY460
E	HOH2496
F	LEU246
F	HOH2279

site_id	GC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K F 1496

Chain	Residue
F	THR26
F	ILE27
F	ASP93
F	VAL180
F	HOH2065

site_id	GC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K G 1498

Chain	Residue
G	THR26
G	ILE27
G	ASP93
G	VAL180
G	HOH2073

site_id	GC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K H 1494

Chain	Residue
G	LEU246
G	HOH2280
G	HOH2296
H	LYS457
H	GLY460

site_id	GC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K G 1499

Chain	Residue
G	LYS457
G	GLY460
G	HOH2453
H	LEU246
H	HOH2175

site_id	GC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K H 1495

Chain	Residue
H	THR26
H	ILE27
H	ASP93
H	VAL180
H	HOH2034

site_id	HC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K F 1497

Chain	Residue
E	LEU246
E	HOH2306
E	HOH2332
F	LYS457
F	GLY460

site_id	HC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K A 1499

Chain	Residue
A	PE41493
A	HOH2594
A	HOH2595

site_id	HC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K B 1501

Chain	Residue
B	PE41493
B	HOH2261

site_id	HC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K D 1499

Chain	Residue
D	PE41494
D	HOH2390

site_id	HC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE K C 1501

Chain	Residue
C	PE41494

site_id	HC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE K E 1498

Chain	Residue
E	PE41493

site_id	HC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K H 1496

Chain	Residue
H	PE41492
H	HOH2298

site_id	HC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K G 1500

Chain	Residue
G	PE41494
G	HOH2483

site_id	HC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE K F 1498

Chain	Residue
F	PE41493

Functional Information from PROSITE/UniProt

site_id	PS00070
Number of Residues	12
Details	ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfSSGQVCTNGT

Chain	Residue	Details
A	PHE279-THR290

site_id	PS00687
Number of Residues	8
Details	ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. MELGGKSP

Chain	Residue	Details
A	MET251-PRO258

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	ACT_SITE: Charge relay system => ECO:0000255\|HAMAP-Rule:MF_00804, ECO:0000269\|PubMed:19013472

Chain	Residue	Details
A	LYS162
E	GLU464
F	LYS162
F	GLU464
G	LYS162
G	GLU464
H	LYS162
H	GLU464
A	GLU464
B	LYS162
B	GLU464
C	LYS162
C	GLU464
D	LYS162
D	GLU464
E	LYS162

site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: Proton acceptor => ECO:0000255\|HAMAP-Rule:MF_00804, ECO:0000269\|PubMed:19013472

Chain	Residue	Details
A	GLU252
B	GLU252
C	GLU252
D	GLU252
E	GLU252
F	GLU252
G	GLU252
H	GLU252

site_id	SWS_FT_FI3
Number of Residues	8
Details	ACT_SITE: Nucleophile => ECO:0000305\|PubMed:21732915

Chain	Residue	Details
A	CYS286
B	CYS286
C	CYS286
D	CYS286
E	CYS286
F	CYS286
G	CYS286
H	CYS286

site_id	SWS_FT_FI4
Number of Residues	56
Details	BINDING:

Chain	Residue	Details
A	THR26
B	ASP93
B	VAL180
B	LEU246
B	LYS457
B	GLY460
C	THR26
C	ILE27
C	ASP93
C	VAL180
C	LEU246
A	ILE27
C	LYS457
C	GLY460
D	THR26
D	ILE27
D	ASP93
D	VAL180
D	LEU246
D	LYS457
D	GLY460
E	THR26
A	ASP93
E	ILE27
E	ASP93
E	VAL180
E	LEU246
E	LYS457
E	GLY460
F	THR26
F	ILE27
F	ASP93
F	VAL180
A	VAL180
F	LEU246
F	LYS457
F	GLY460
G	THR26
G	ILE27
G	ASP93
G	VAL180
G	LEU246
G	LYS457
G	GLY460
A	LEU246
H	THR26
H	ILE27
H	ASP93
H	VAL180
H	LEU246
H	LYS457
H	GLY460
A	LYS457
A	GLY460
B	THR26
B	ILE27

site_id	SWS_FT_FI5
Number of Residues	40
Details	BINDING: BINDING => ECO:0000269\|PubMed:21732915, ECO:0007744\|PDB:2WOX

Chain	Residue	Details
A	GLY150
B	GLU387
C	GLY150
C	LYS176
C	GLY209
C	GLY230
C	GLU387
D	GLY150
D	LYS176
D	GLY209
D	GLY230
A	LYS176
D	GLU387
E	GLY150
E	LYS176
E	GLY209
E	GLY230
E	GLU387
F	GLY150
F	LYS176
F	GLY209
F	GLY230
A	GLY209
F	GLU387
G	GLY150
G	LYS176
G	GLY209
G	GLY230
G	GLU387
H	GLY150
H	LYS176
H	GLY209
H	GLY230
A	GLY230
H	GLU387
A	GLU387
B	GLY150
B	LYS176
B	GLY209
B	GLY230

site_id	SWS_FT_FI6
Number of Residues	8
Details	BINDING: covalent => ECO:0000269\|PubMed:21732915, ECO:0007744\|PDB:2WOX

Chain	Residue	Details
A	CYS286
B	CYS286
C	CYS286
D	CYS286
E	CYS286
F	CYS286
G	CYS286
H	CYS286

site_id	SWS_FT_FI7
Number of Residues	8
Details	SITE: Seems to be a necessary countercharge to the potassium cations

Chain	Residue	Details
A	GLU248
B	GLU248
C	GLU248
D	GLU248
E	GLU248
F	GLU248
G	GLU248
H	GLU248

site_id	SWS_FT_FI8
Number of Residues	8
Details	MOD_RES: Cysteine sulfenic acid (-SOH) => ECO:0000255\|HAMAP-Rule:MF_00804, ECO:0000269\|PubMed:19013472

Chain	Residue	Details
A	CYS286
B	CYS286
C	CYS286
D	CYS286
E	CYS286
F	CYS286
G	CYS286
H	CYS286

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