3RUP

Crystal structure of E.coli biotin carboxylase in complex with two ADP and two Ca ions

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003824	molecular_function	catalytic activity
A	0003989	molecular_function	acetyl-CoA carboxylase activity
A	0004075	molecular_function	biotin carboxylase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0016874	molecular_function	ligase activity
A	0042803	molecular_function	protein homodimerization activity
A	0045717	biological_process	negative regulation of fatty acid biosynthetic process
A	0046872	molecular_function	metal ion binding
A	2001295	biological_process	malonyl-CoA biosynthetic process
B	0000166	molecular_function	nucleotide binding
B	0003824	molecular_function	catalytic activity
B	0003989	molecular_function	acetyl-CoA carboxylase activity
B	0004075	molecular_function	biotin carboxylase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0016874	molecular_function	ligase activity
B	0042803	molecular_function	protein homodimerization activity
B	0045717	biological_process	negative regulation of fatty acid biosynthetic process
B	0046872	molecular_function	metal ion binding
B	2001295	biological_process	malonyl-CoA biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE ADP A 1000

Chain	Residue
A	GLY83
A	ASN290
A	ARG292
A	GLN294
A	VAL295
A	GLU296
A	ARG338
A	ASP382
A	HOH459
A	HOH505
A	HOH510
A	GLU87
A	HOH531
A	HOH594
A	HOH607
A	HOH619
A	GLY162
A	GLY164
A	GLY165
A	ARG167
A	PHE193
A	GLN237
A	LYS238

---

site_id	AC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE ADP A 1002

Chain	Residue
A	LYS116
A	LYS159
A	GLY163
A	GLY164
A	GLY165
A	GLY166
A	MET169
A	GLU201
A	LYS202
A	TYR203
A	LEU204
A	HIS209
A	GLN233
A	HIS236
A	GLU276
A	LEU278
A	GLU288
A	ILE437
A	HOH459
A	HOH518
A	HOH530
A	HOH553
A	CA1004

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 1004

Chain	Residue
A	GLU276
A	GLU288
A	HOH530
A	HOH619
A	ADP1002

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 1006

Chain	Residue
A	GLU87
A	GLU288
A	ASN290
A	HOH486
A	HOH531
A	HOH538

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 1008

Chain	Residue
A	ARG10
A	HIS370
A	TYR375
A	PRO378
A	HOH863

---

site_id	AC6
Number of Residues	24
Details	BINDING SITE FOR RESIDUE ADP B 1001

Chain	Residue
B	LYS116
B	LYS159
B	GLY163
B	GLY164
B	GLY165
B	GLY166
B	MET169
B	GLU201
B	LYS202
B	TYR203
B	LEU204
B	HIS209
B	GLN233
B	HIS236
B	GLU276
B	LEU278
B	ILE287
B	GLU288
B	ILE437
B	HOH536
B	HOH545
B	HOH609
B	HOH623
B	CA1005

---

site_id	AC7
Number of Residues	22
Details	BINDING SITE FOR RESIDUE ADP B 1003

Chain	Residue
B	ASP382
B	HOH492
B	HOH536
B	HOH538
B	HOH540
B	HOH544
B	HOH617
B	HOH623
B	HOH808
B	GLY83
B	GLU87
B	GLY162
B	GLY164
B	GLY165
B	GLN237
B	LYS238
B	ASN290
B	ARG292
B	GLN294
B	VAL295
B	GLU296
B	ARG338

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B 1005

Chain	Residue
B	GLU276
B	GLU288
B	HOH545
B	HOH623
B	ADP1001

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 1007

Chain	Residue
B	GLU87
B	GLU288
B	ASN290
B	HOH492
B	HOH540
B	HOH622

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 1009

Chain	Residue
B	ARG10
B	HIS370
B	TYR375

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 1011

Chain	Residue
B	GLY11
B	HIS41
B	HIS370

---

Functional Information from PROSITE/UniProt

site_id	PS00866
Number of Residues	15
Details	CPSASE_1 Carbamoyl-phosphate synthase subdomain signature 1. YPVIIKASgggGGrG

Chain	Residue	Details
A	TYR154-GLY168

---

site_id	PS00867
Number of Residues	8
Details	CPSASE_2 Carbamoyl-phosphate synthase subdomain signature 2. FIEMNTRI

Chain	Residue	Details
A	PHE286-ILE293

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	394
Details	Domain: {"description":"ATP-grasp","evidences":[{"source":"PROSITE-ProRule","id":"PRU00409","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"19213731","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10821865","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19213731","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DV2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G8D","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19213731","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3G8C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G8D","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10821865","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19213731","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DV2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G8C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G8D","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	10
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19213731","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3G8C","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10821865","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19213731","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DV2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G8C","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00409","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	444
Details	Domain: {"description":"Biotin carboxylation"}

Chain

Residue

Details

---