1KBI

Crystallographic Study of the Recombinant Flavin-binding Domain of Baker's Yeast Flavocytochrome b2: Comparison with the Intact Wild-type Enzyme

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016491	molecular_function	oxidoreductase activity
A	0020037	molecular_function	heme binding
B	0016491	molecular_function	oxidoreductase activity
B	0020037	molecular_function	heme binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE HEM A 760

Chain	Residue
A	LEU36
A	HIS66
A	VAL70
A	ILE71
A	TYR97
A	GLN139
A	TYR143
A	ALA198
A	LEU199
A	LEU230
A	LYS296
A	PHE39
A	HOH797
A	HOH807
A	HOH858
A	HOH871
A	HIS43
A	PRO44
A	GLY45
A	VAL49
A	VAL58
A	ILE61
A	PHE62

---

site_id	AC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FMN A 770

Chain	Residue
A	TYR143
A	TYR144
A	SER195
A	ALA196
A	THR197
A	ALA198
A	SER228
A	GLN252
A	TYR254
A	THR280
A	LYS349
A	SER371
A	HIS373
A	GLY374
A	ARG376
A	ASP409
A	GLY410
A	GLY411
A	ARG413
A	GLY432
A	ARG433
A	LEU436
A	HOH771
A	HOH797
A	HOH814

---

site_id	AC3
Number of Residues	26
Details	BINDING SITE FOR RESIDUE FMN B 870

Chain	Residue
B	TYR143
B	TYR144
B	SER195
B	ALA196
B	THR197
B	ALA198
B	SER228
B	GLN252
B	TYR254
B	THR280
B	LYS349
B	SER371
B	HIS373
B	GLY374
B	ARG376
B	ASP409
B	GLY410
B	GLY411
B	ARG413
B	LEU431
B	GLY432
B	ARG433
B	LEU436
B	PYR800
B	HOH901
B	HOH908

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PYR B 800

Chain	Residue
B	TYR143
B	TYR254
B	HIS373
B	ARG376
B	FMN870
B	HOH1020

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD A 701

Chain	Residue
A	ARG259
A	ASP263
A	ASP334
A	GLU337
A	LYS341
A	HOH937

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD A 702

Chain	Residue
A	ARG353
A	GLU355
A	LYS359
A	HOH948
B	LYS169
B	ASP476

---

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MPD A 703

Chain	Residue
A	GLY185

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MPD A 704

Chain	Residue
A	GLU355
A	GLU390
A	ILE394
A	ARG398

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MPD B 801

Chain	Residue
B	ASP263
B	ASP334
B	LEU338
B	ARG259
B	THR262

---

Functional Information from PROSITE/UniProt

site_id	PS00191
Number of Residues	8
Details	CYTOCHROME_B5_1 Cytochrome b5 family, heme-binding domain signature. FLPNHPGG

Chain	Residue	Details
A	PHE39-GLY46

---

site_id	PS00557
Number of Residues	7
Details	FMN_HYDROXY_ACID_DH_1 FMN-dependent alpha-hydroxy acid dehydrogenases active site. SNHGGRQ

Chain	Residue	Details
A	SER371-GLN377

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	77
Details	Domain: {"description":"Cytochrome b5 heme-binding","evidences":[{"source":"PROSITE-ProRule","id":"PRU00279","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"17563122","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"11914072","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2329585","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1FCB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KBI","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	33
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11914072","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2329585","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1FCB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KBI","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11914072","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1KBI","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	5
Details	Annotated By Reference To The Literature 1fcb

Chain	Residue	Details
A	TYR254
A	TYR143
A	ARG376
A	ASP282
A	HIS373

---

site_id	CSA2
Number of Residues	5
Details	Annotated By Reference To The Literature 1fcb

Chain	Residue	Details
B	TYR254
B	TYR143
B	ARG376
B	ASP282
B	HIS373

---

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1fcb

Chain	Residue	Details
A	TYR254
A	ARG376
A	HIS373
A	ASP282

---

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1fcb

Chain	Residue	Details
B	TYR254
B	ARG376
B	HIS373
B	ASP282

---

site_id	MCSA1
Number of Residues	3
Details	M-CSA 102

Chain	Residue	Details
A	TYR254	electrostatic stabiliser, hydrogen bond donor
A	ASP282	electrostatic stabiliser, hydrogen bond acceptor
A	HIS373	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA2
Number of Residues	3
Details	M-CSA 102

Chain	Residue	Details
B	TYR254	electrostatic stabiliser, hydrogen bond donor
B	ASP282	electrostatic stabiliser, hydrogen bond acceptor
B	HIS373	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

---