6NA4

Co crystal structure of ECR with Butryl-CoA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
A	0043880	molecular_function	crotonyl-CoA reductase activity
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
B	0043880	molecular_function	crotonyl-CoA reductase activity
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
C	0043880	molecular_function	crotonyl-CoA reductase activity
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
D	0043880	molecular_function	crotonyl-CoA reductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	36
Details	binding site for residue NAP A 501

Chain	Residue
A	TYR80
A	VAL256
A	SER257
A	LYS261
A	ARG276
A	HIS317
A	PRO318
A	GLU321
A	CYS339
A	ALA340
A	THR342
A	TRP84
A	SER343
A	HIS365
A	PHE366
A	ASN407
A	HIS409
A	HOH614
A	HOH673
A	HOH699
A	HOH723
A	HOH756
A	LEU205
A	HOH772
A	HOH791
A	HOH842
A	HOH843
A	HOH858
C	TRP355
C	YAS501
A	VAL206
A	THR209
A	GLY232
A	GLY235
A	GLY236
A	LEU237

---

site_id	AC2
Number of Residues	4
Details	binding site for residue VES A 502

Chain	Residue
A	GLN243
A	LYS438
A	ALA441
A	HOH666

---

site_id	AC3
Number of Residues	8
Details	binding site for residue 2EC A 503

Chain	Residue
A	LYS296
A	GLY299
A	GLY300
A	ARG303
A	ASP310
A	TYR328
A	HOH624
A	HOH770

---

site_id	AC4
Number of Residues	36
Details	binding site for residue NAP B 501

Chain	Residue
B	TYR80
B	TRP84
B	LEU205
B	VAL206
B	THR209
B	GLY232
B	GLY235
B	GLY236
B	LEU237
B	VAL256
B	SER257
B	LYS261
B	ARG276
B	HIS317
B	PRO318
B	GLU321
B	CYS339
B	ALA340
B	THR342
B	SER343
B	HIS365
B	PHE366
B	ASN407
B	HIS409
B	HOH609
B	HOH621
B	HOH649
B	HOH675
B	HOH682
B	HOH709
B	HOH818
B	HOH821
B	HOH892
B	HOH911
D	TRP355
D	YAS502

---

site_id	AC5
Number of Residues	4
Details	binding site for residue VES B 502

Chain	Residue
B	GLN243
B	LYS438
B	ALA441
B	HOH657

---

site_id	AC6
Number of Residues	8
Details	binding site for residue 2EC B 503

Chain	Residue
B	LYS296
B	GLY299
B	GLY300
B	ARG303
B	ASP310
B	TYR328
B	HOH860
B	HOH1091

---

site_id	AC7
Number of Residues	26
Details	binding site for residue YAS C 501

Chain	Residue
A	PHE96
A	ARG99
A	PHE170
A	NAP501
A	HOH887
A	HOH1027
C	LYS296
C	GLY299
C	GLY300
C	ARG303
C	ASP310
C	TYR328
C	VAL329
C	ARG352
C	TRP355
C	MET356
C	HOH609
C	HOH625
C	HOH629
C	HOH654
C	HOH690
C	HOH877
C	HOH917
A	ASN81
A	TRP84
A	PRO90

---

site_id	AC8
Number of Residues	3
Details	binding site for residue VES C 502

Chain	Residue
C	ARG217
D	ARG217
D	HOH720

---

site_id	AC9
Number of Residues	32
Details	binding site for residue NDP C 503

Chain	Residue
C	TYR80
C	ASN81
C	VAL206
C	GLY232
C	GLY235
C	GLY236
C	LEU237
C	VAL256
C	SER257
C	LYS261
C	ARG276
C	HIS317
C	PRO318
C	GLU321
C	THR322
C	ALA340
C	THR342
C	SER343
C	PHE366
C	HOH618
C	HOH660
C	HOH687
C	HOH706
C	HOH725
C	HOH730
C	HOH734
C	HOH764
C	HOH773
C	HOH827
C	HOH853
C	HOH904
C	HOH926

---

site_id	AD1
Number of Residues	31
Details	binding site for residue NAP D 501

Chain	Residue
D	TYR80
D	ASN81
D	GLY232
D	GLY235
D	GLY236
D	LEU237
D	VAL256
D	SER257
D	LYS261
D	ARG276
D	HIS317
D	PRO318
D	GLU321
D	THR322
D	ALA340
D	THR342
D	SER343
D	PHE366
D	VES503
D	HOH612
D	HOH628
D	HOH636
D	HOH646
D	HOH651
D	HOH660
D	HOH754
D	HOH764
D	HOH778
D	HOH793
D	HOH861
D	HOH901

---

site_id	AD2
Number of Residues	30
Details	binding site for residue YAS D 502

Chain	Residue
B	ASN81
B	TRP84
B	PRO90
B	PHE96
B	ARG99
B	PHE170
B	NAP501
D	LYS296
D	GLY299
D	GLY300
D	ARG303
D	ASP310
D	TYR328
D	ARG352
D	TYR353
D	TRP355
D	MET356
D	HOH601
D	HOH621
D	HOH639
D	HOH672
D	HOH692
D	HOH803
D	HOH815
D	HOH822
D	HOH833
D	HOH853
D	HOH873
D	HOH908
D	HOH924

---

site_id	AD3
Number of Residues	6
Details	binding site for residue VES D 503

Chain	Residue
D	VAL206
D	THR209
D	PHE366
D	NAP501
D	HOH778
D	HOH1001

---

site_id	AD4
Number of Residues	2
Details	binding site for residue VES D 504

Chain	Residue
D	ARG266
D	ILE273

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