5EZ4

2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289

GO（遺伝子オントロジー）由来の情報

鎖名	GO（遺伝子オントロジー）id	名前空間	内容
A	0000166	molecular_function	nucleotide binding
A	0006578	biological_process	amino-acid betaine biosynthetic process
A	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) 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	0000166	molecular_function	nucleotide binding
B	0006578	biological_process	amino-acid betaine biosynthetic process
B	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) 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	0000166	molecular_function	nucleotide binding
C	0006578	biological_process	amino-acid betaine biosynthetic process
C	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) 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	0000166	molecular_function	nucleotide binding
D	0006578	biological_process	amino-acid betaine biosynthetic process
D	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) 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

PDBデータベースに由来する情報

site_id	AC1
残基数	32
詳細	binding site for residue NAD A 501

鎖名	残基
A	ILE153
A	GLY213
A	GLY217
A	ASP218
A	PHE231
A	GLY233
A	GLY234
A	THR237
A	HIS240
A	ILE241
A	GLU255
A	THR154
A	GLY257
A	CME289
A	LYS339
A	GLU390
A	PHE392
A	HOH619
A	HOH633
A	HOH665
A	HOH755
A	HOH819
A	PRO155
A	HOH901
A	HOH922
A	HOH957
A	TRP156
A	ASN157
A	GLN162
A	LYS180
A	SER182
A	GLU183

---

site_id	AC2
残基数	5
詳細	binding site for residue NA A 502

鎖名	残基
A	LYS460
A	GLY463
A	HOH866
B	VAL249
B	HOH984

---

site_id	AC3
残基数	2
詳細	binding site for residue PGE A 503

鎖名	残基
A	HIS448
A	HOH961

---

site_id	AC4
残基数	13
詳細	binding site for residue EPE A 504

鎖名	残基
A	SER8
A	TRP17
A	ARG191
A	GLU194
A	GLU197
A	GLU198
A	HOH632
A	HOH743
A	HOH934
A	HOH1007
B	ASP266
B	ASP267
B	LYS425

---

site_id	AC5
残基数	9
詳細	binding site for residue EPE A 505

鎖名	残基
A	ASN492
A	TRP493
A	PHE494
A	SER495
A	LYS496
B	ALA324
B	THR326
B	GLU327
B	HOH659

---

site_id	AC6
残基数	34
詳細	binding site for residue NAD B 501

鎖名	残基
B	ILE153
B	THR154
B	PRO155
B	TRP156
B	ASN157
B	LYS180
B	SER182
B	GLU183
B	GLY213
B	GLY217
B	ASP218
B	PHE231
B	GLY233
B	GLY234
B	THR237
B	HIS240
B	ILE241
B	GLU255
B	LEU256
B	GLY257
B	CME289
B	HIS336
B	LYS339
B	GLU390
B	PHE392
B	HOH629
B	HOH631
B	HOH671
B	HOH676
B	HOH713
B	HOH764
B	HOH887
B	HOH911
B	HOH955

---

site_id	AC7
残基数	5
詳細	binding site for residue NA B 502

鎖名	残基
B	HOH906
A	VAL249
A	HOH996
B	LYS460
B	GLY463

---

site_id	AC8
残基数	1
詳細	binding site for residue PGE B 503

鎖名	残基
B	HIS448

---

site_id	AC9
残基数	12
詳細	binding site for residue EPE B 504

鎖名	残基
A	ASP266
A	LYS425
A	HOH691
B	SER8
B	TRP17
B	ARG191
B	GLU194
B	GLU198
B	HOH664
B	HOH727
B	HOH766
B	HOH837

---

site_id	AD1
残基数	10
詳細	binding site for residue EPE B 505

鎖名	残基
A	GLU103
A	ALA324
A	THR326
A	GLU327
A	HOH700
B	ASN492
B	TRP493
B	PHE494
B	SER495
B	LYS496

---

site_id	AD2
残基数	33
詳細	binding site for residue NAD C 501

鎖名	残基
C	ILE153
C	THR154
C	PRO155
C	TRP156
C	ASN157
C	LYS180
C	SER182
C	GLU183
C	GLY213
C	GLY217
C	ASP218
C	PHE231
C	GLY233
C	GLY234
C	THR237
C	HIS240
C	ILE241
C	GLU255
C	GLY257
C	CME289
C	LYS339
C	GLU390
C	PHE392
C	HOH628
C	HOH660
C	HOH700
C	HOH726
C	HOH802
C	HOH841
C	HOH898
C	HOH933
C	HOH969
C	HOH970

---

site_id	AD3
残基数	5
詳細	binding site for residue NA C 502

鎖名	残基
C	LYS460
C	GLY463
C	HOH818
D	VAL249
D	HOH1005

---

site_id	AD4
残基数	1
詳細	binding site for residue PGE C 503

鎖名	残基
C	HOH781

---

site_id	AD5
残基数	6
詳細	binding site for residue PGE C 504

鎖名	残基
C	SER342
C	TYR343
C	VAL346
C	ARG385
C	HOH730
D	ASN247

---

site_id	AD6
残基数	11
詳細	binding site for residue EPE C 505

鎖名	残基
B	ASP362
C	ASN492
C	TRP493
C	PHE494
C	SER495
C	LYS496
C	HOH643
D	GLU103
D	ALA324
D	THR326
D	HOH737

---

site_id	AD7
残基数	35
詳細	binding site for residue NAD D 501

鎖名	残基
D	ILE153
D	THR154
D	PRO155
D	TRP156
D	ASN157
D	GLN162
D	LYS180
D	SER182
D	GLU183
D	GLY213
D	GLY217
D	ASP218
D	PHE231
D	GLY233
D	GLY234
D	THR237
D	HIS240
D	ILE241
D	GLU255
D	LEU256
D	GLY257
D	CME289
D	HIS336
D	LYS339
D	GLU390
D	PHE392
D	HOH613
D	HOH623
D	HOH641
D	HOH657
D	HOH681
D	HOH711
D	HOH854
D	HOH951
D	HOH966

---

site_id	AD8
残基数	5
詳細	binding site for residue NA D 502

鎖名	残基
C	VAL249
C	HOH1017
D	LYS460
D	GLY463
D	HOH884

---

site_id	AD9
残基数	4
詳細	binding site for residue PGE D 503

鎖名	残基
D	TYR158
D	HIS448
D	HOH646
D	HOH918

---

UniProtにおけるモチーフ・データベースPROSITEからの機能情報

site_id	PS00070
残基数	12
詳細	ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. YfHAGQVCSAGS

鎖名	残基	詳細
A	TYR282-SER293

---

site_id	PS00687
残基数	8
詳細	ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKNP

鎖名	残基	詳細
A	LEU254-PRO261

---