2GVC

Crystal structure of flavin-containing monooxygenase (FMO)from S.pombe and substrate (methimazole) complex

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0004499	molecular_function	N,N-dimethylaniline monooxygenase activity
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0050661	molecular_function	NADP binding
A	0071949	molecular_function	FAD binding
A	1990748	biological_process	cellular detoxification
B	0004497	molecular_function	monooxygenase activity
B	0004499	molecular_function	N,N-dimethylaniline monooxygenase activity
B	0005789	cellular_component	endoplasmic reticulum membrane
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0050661	molecular_function	NADP binding
B	0071949	molecular_function	FAD binding
B	1990748	biological_process	cellular detoxification
D	0004497	molecular_function	monooxygenase activity
D	0004499	molecular_function	N,N-dimethylaniline monooxygenase activity
D	0005789	cellular_component	endoplasmic reticulum membrane
D	0050660	molecular_function	flavin adenine dinucleotide binding
D	0050661	molecular_function	NADP binding
D	0071949	molecular_function	FAD binding
D	1990748	biological_process	cellular detoxification
E	0004497	molecular_function	monooxygenase activity
E	0004499	molecular_function	N,N-dimethylaniline monooxygenase activity
E	0005789	cellular_component	endoplasmic reticulum membrane
E	0050660	molecular_function	flavin adenine dinucleotide binding
E	0050661	molecular_function	NADP binding
E	0071949	molecular_function	FAD binding
E	1990748	biological_process	cellular detoxification

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PEO A 503

Chain	Residue
A	ASN91
A	VAL340
A	FAD500
A	MMZ501
A	HOH518

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEO B 503

Chain	Residue
B	ASN91
B	VAL340
B	FAD500
B	MMZ501

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEO D 503

Chain	Residue
D	ASN91
D	VAL340
D	FAD500
D	MMZ501

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEO E 503

Chain	Residue
E	ASN91
E	VAL340
E	FAD500
E	MMZ501

---

site_id	AC5
Number of Residues	38
Details	BINDING SITE FOR RESIDUE FAD A 500

Chain	Residue
A	GLY13
A	GLY15
A	PRO16
A	SER17
A	GLU38
A	ARG39
A	ARG40
A	GLY45
A	VAL46
A	TRP47
A	PRO83
A	LEU84
A	LEU88
A	THR90
A	ASN91
A	THR92
A	THR136
A	ASP137
A	VAL138
A	CYS172
A	ASN173
A	GLY174
A	TYR176
A	PRO342
A	PHE343
A	MMZ501
A	PEO503
A	HOH504
A	HOH512
A	HOH513
A	HOH524
A	HOH528
A	HOH534
A	HOH545
A	HOH564
A	HOH570
A	HOH623
A	HOH640

---

site_id	AC6
Number of Residues	40
Details	BINDING SITE FOR RESIDUE FAD B 500

Chain	Residue
B	GLY13
B	GLY15
B	PRO16
B	SER17
B	PHE37
B	GLU38
B	ARG39
B	ARG40
B	GLY45
B	VAL46
B	TRP47
B	PRO83
B	LEU84
B	THR90
B	ASN91
B	THR92
B	THR136
B	ASP137
B	VAL138
B	CYS172
B	ASN173
B	GLY174
B	TYR176
B	PHE296
B	PRO342
B	PHE343
B	MMZ501
B	PEO503
B	HOH505
B	HOH506
B	HOH513
B	HOH522
B	HOH523
B	HOH524
B	HOH530
B	HOH566
B	HOH570
B	HOH581
B	HOH583
B	HOH592

---

site_id	AC7
Number of Residues	40
Details	BINDING SITE FOR RESIDUE FAD D 500

Chain	Residue
D	GLU38
D	ARG39
D	ARG40
D	GLY45
D	VAL46
D	TRP47
D	PRO83
D	LEU84
D	LEU88
D	THR90
D	ASN91
D	THR92
D	THR136
D	ASP137
D	VAL138
D	CYS172
D	ASN173
D	GLY174
D	TYR176
D	PHE296
D	PRO342
D	PHE343
D	MMZ501
D	PEO503
D	HOH504
D	HOH508
D	HOH509
D	HOH516
D	HOH521
D	HOH538
D	HOH539
D	HOH550
D	HOH554
D	HOH588
D	HOH591
D	HOH598
D	GLY13
D	GLY15
D	PRO16
D	SER17

---

site_id	AC8
Number of Residues	39
Details	BINDING SITE FOR RESIDUE FAD E 500

Chain	Residue
E	GLY13
E	GLY15
E	PRO16
E	SER17
E	PHE37
E	GLU38
E	ARG39
E	ARG40
E	GLY45
E	VAL46
E	TRP47
E	PRO83
E	LEU84
E	THR90
E	ASN91
E	THR92
E	THR136
E	ASP137
E	VAL138
E	CYS172
E	ASN173
E	GLY174
E	TYR176
E	PHE296
E	PRO342
E	PHE343
E	MMZ501
E	PEO503
E	HOH504
E	HOH515
E	HOH519
E	HOH521
E	HOH573
E	HOH574
E	HOH579
E	HOH580
E	HOH591
E	HOH624
E	HOH636

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MMZ A 501

Chain	Residue
A	TYR176
A	FAD500
A	PEO503

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MMZ B 501

Chain	Residue
B	TYR176
B	FAD500
B	PEO503
B	HOH545

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MMZ D 501

Chain	Residue
D	TYR176
D	FAD500
D	PEO503

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MMZ E 501

Chain	Residue
E	TYR176
E	FAD500
E	PEO503
E	HOH564

---

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 502

Chain	Residue
A	TYR49
A	SER51
A	ARG86
A	GLU206
A	HOH508
A	HOH509
A	HOH551
B	ASN48
B	HOH616

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 502

Chain	Residue
A	ASN48
B	TYR49
B	SER51
B	ARG86
B	GLU206
B	HOH507
B	HOH529

---

site_id	BC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D 502

Chain	Residue
D	TYR49
D	SER51
D	ARG86
D	GLU206
D	HOH506
D	HOH517
D	HOH608
E	ASN48
E	HOH528

---

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL E 502

Chain	Residue
D	ASN48
D	HOH621
E	TYR49
E	SER51
E	ARG86
E	GLU206
E	HOH505
E	HOH514
E	HOH541
E	HOH619

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269|PubMed:16777962, ECO:0007744|PDB:1VQW, ECO:0007744|PDB:2GV8, ECO:0007744|PDB:2GVC

Chain	Residue	Details
B	ASN91
E	GLU38
E	VAL46
E	ASN91
E	ASP137
A	GLY13
A	GLU38
A	VAL46
A	ASN91
A	ASP137
B	GLY13
B	GLU38
B	VAL46
B	ASP137
D	GLY13
D	GLU38
D	VAL46
D	ASN91
D	ASP137
E	GLY13

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:16777962, ECO:0007744|PDB:2GV8

Chain	Residue	Details
A	THR90
A	SER223
B	THR90
B	SER223
D	THR90
D	SER223
E	THR90
E	SER223

---