Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4TOH

1.80A resolution structure of Iron Bound BfrB (C89S, K96C) from Pseudomonas aeruginosa

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004322	molecular_function	ferroxidase activity
A	0005506	molecular_function	iron ion binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006811	biological_process	monoatomic ion transport
A	0006826	biological_process	iron ion transport
A	0006879	biological_process	intracellular iron ion homeostasis
A	0008199	molecular_function	ferric iron binding
A	0016491	molecular_function	oxidoreductase activity
A	0020037	molecular_function	heme binding
A	0046872	molecular_function	metal ion binding
A	0070288	cellular_component	ferritin complex
A	0140315	molecular_function	iron ion sequestering activity
B	0004322	molecular_function	ferroxidase activity
B	0005506	molecular_function	iron ion binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006811	biological_process	monoatomic ion transport
B	0006826	biological_process	iron ion transport
B	0006879	biological_process	intracellular iron ion homeostasis
B	0008199	molecular_function	ferric iron binding
B	0016491	molecular_function	oxidoreductase activity
B	0020037	molecular_function	heme binding
B	0046872	molecular_function	metal ion binding
B	0070288	cellular_component	ferritin complex
B	0140315	molecular_function	iron ion sequestering activity
C	0004322	molecular_function	ferroxidase activity
C	0005506	molecular_function	iron ion binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006811	biological_process	monoatomic ion transport
C	0006826	biological_process	iron ion transport
C	0006879	biological_process	intracellular iron ion homeostasis
C	0008199	molecular_function	ferric iron binding
C	0016491	molecular_function	oxidoreductase activity
C	0020037	molecular_function	heme binding
C	0046872	molecular_function	metal ion binding
C	0070288	cellular_component	ferritin complex
C	0140315	molecular_function	iron ion sequestering activity
D	0004322	molecular_function	ferroxidase activity
D	0005506	molecular_function	iron ion binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006811	biological_process	monoatomic ion transport
D	0006826	biological_process	iron ion transport
D	0006879	biological_process	intracellular iron ion homeostasis
D	0008199	molecular_function	ferric iron binding
D	0016491	molecular_function	oxidoreductase activity
D	0020037	molecular_function	heme binding
D	0046872	molecular_function	metal ion binding
D	0070288	cellular_component	ferritin complex
D	0140315	molecular_function	iron ion sequestering activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue FE2 A 201

Chain	Residue
A	HIS10
A	HIS107
A	HOH347
A	HOH348
A	HOH352
A	HOH390

site_id	AC2
Number of Residues	4
Details	binding site for residue FE2 A 202

Chain	Residue
A	GLU127
A	GLU18
A	GLU51
A	HIS54

site_id	AC3
Number of Residues	5
Details	binding site for residue FE2 A 203

Chain	Residue
A	GLU51
A	GLU94
A	GLU127
A	HIS130
A	HOH476

site_id	AC4
Number of Residues	6
Details	binding site for residue FE2 A 204

Chain	Residue
A	HIS155
A	HOH351
B	HIS153
B	HOH322
B	HOH332
B	HOH336

site_id	AC5
Number of Residues	7
Details	binding site for residue FE2 A 205

Chain	Residue
A	ASP34
A	HOH304
A	HOH308
A	HOH375
B	HOH302
B	HOH315
B	HOH331

site_id	AC6
Number of Residues	7
Details	binding site for residue FE2 A 206

Chain	Residue
A	HOH421
A	HOH454
B	ASP34
B	HOH362
B	HOH375
B	HOH494
D	HOH346

site_id	AC7
Number of Residues	6
Details	binding site for residue FE2 A 207

Chain	Residue
A	ASP132
A	HOH340
A	HOH341
A	HOH357
C	HOH302
C	HOH318

site_id	AC8
Number of Residues	3
Details	binding site for residue FE2 A 208

Chain	Residue
A	HIS46
A	HOH479
A	HOH480

site_id	AC9
Number of Residues	1
Details	binding site for residue FE2 A 210

Chain	Residue
A	HOH461

site_id	AD1
Number of Residues	2
Details	binding site for residue FE2 A 211

Chain	Residue
A	GLU85
A	GLN142

site_id	AD2
Number of Residues	13
Details	binding site for residue SO4 A 212

Chain	Residue
A	LYS121
A	HOH305
A	HOH307
A	HOH316
A	HOH320
A	HOH322
A	HOH371
A	HOH455
C	ASP118
C	LYS121
C	HOH314
D	LYS121
D	HOH407

site_id	AD3
Number of Residues	8
Details	binding site for residue K B 201

Chain	Residue
A	ASN148
A	GLN151
B	ASN148
B	GLN151
C	ASN148
C	GLN151
D	ASN148
D	GLN151

site_id	AD4
Number of Residues	23
Details	binding site for residue HEM B 202

Chain	Residue
A	LEU19
A	ILE22
A	ASN23
A	PHE26
A	TYR45
A	ILE49
A	MET52
A	LYS53
B	LEU19
B	ILE22
B	ASN23
B	PHE26
B	TYR45
B	ILE49
B	MET52
B	LYS53
B	LEU71
B	HOH357
B	HOH398
B	HOH431
B	HOH432
B	HOH456
B	HOH480

site_id	AD5
Number of Residues	6
Details	binding site for residue FE2 B 203

Chain	Residue
B	HIS10
B	HIS107
B	HOH374
B	HOH392
B	HOH408
B	HOH415

site_id	AD6
Number of Residues	4
Details	binding site for residue FE2 B 204

Chain	Residue
B	HIS54
B	GLU127
B	GLU18
B	GLU51

site_id	AD7
Number of Residues	5
Details	binding site for residue FE2 B 205

Chain	Residue
B	GLU51
B	GLU94
B	GLU127
B	HIS130
B	HOH353

site_id	AD8
Number of Residues	6
Details	binding site for residue FE2 B 206

Chain	Residue
B	HIS155
B	HOH354
D	HIS153
D	HOH335
D	HOH340
D	HOH352

site_id	AD9
Number of Residues	6
Details	binding site for residue FE2 B 207

Chain	Residue
B	ASP118
B	GLU125
B	HOH303
B	HOH304
B	HOH318
B	HOH337

site_id	AE1
Number of Residues	4
Details	binding site for residue FE2 B 208

Chain	Residue
B	ASP132
B	HOH317
B	HOH334
B	HOH501

site_id	AE2
Number of Residues	6
Details	binding site for residue FE2 B 209

Chain	Residue
B	HIS46
B	HOH421
B	HOH436
B	HOH490
B	HOH491
B	HOH502

site_id	AE3
Number of Residues	7
Details	binding site for residue SO4 B 211

Chain	Residue
B	ASP118
B	LYS121
B	LYS121
B	LYS121
B	HOH303
B	HOH304
B	HOH313

site_id	AE4
Number of Residues	17
Details	binding site for residue HEM C 201

Chain	Residue
C	LEU19
C	ILE22
C	ASN23
C	ASN23
C	PHE26
C	PHE26
C	TYR45
C	TYR45
C	MET52
C	MET52
C	LYS53
C	LYS53
C	HOH301
C	HOH306
C	HOH306
C	HOH308
C	HOH308

site_id	AE5
Number of Residues	6
Details	binding site for residue FE2 C 202

Chain	Residue
C	HIS10
C	HIS107
C	HOH379
C	HOH397
C	HOH427
C	HOH467

site_id	AE6
Number of Residues	4
Details	binding site for residue FE2 C 203

Chain	Residue
C	GLU18
C	GLU51
C	HIS54
C	GLU127

site_id	AE7
Number of Residues	5
Details	binding site for residue FE2 C 204

Chain	Residue
C	GLU51
C	GLU94
C	GLU127
C	HIS130
C	HOH361

site_id	AE8
Number of Residues	6
Details	binding site for residue FE2 C 205

Chain	Residue
A	HIS153
A	HOH328
A	HOH346
A	HOH350
C	HIS155
C	HOH347

site_id	AE9
Number of Residues	6
Details	binding site for residue FE2 C 206

Chain	Residue
C	HIS153
C	HOH360
C	HOH375
C	HOH405
D	HIS155
D	HOH351

site_id	AF1
Number of Residues	6
Details	binding site for residue FE2 C 207

Chain	Residue
A	GLU125
A	HOH305
A	HOH320
A	HOH358
C	ASP118
C	HOH333

site_id	AF2
Number of Residues	6
Details	binding site for residue FE2 C 208

Chain	Residue
A	HOH326
C	ASP34
C	HOH303
C	HOH305
C	HOH313
C	HOH346

site_id	AF3
Number of Residues	7
Details	binding site for residue FE2 C 209

Chain	Residue
C	HOH304
C	HOH327
D	ASP34
D	HOH304
D	HOH308
D	HOH326
D	HOH359

site_id	AF4
Number of Residues	4
Details	binding site for residue FE2 C 210

Chain	Residue
C	ASP132
C	HOH339
C	HOH476
D	HOH410

site_id	AF5
Number of Residues	4
Details	binding site for residue FE2 C 211

Chain	Residue
C	HIS46
C	HOH419
C	HOH447
C	HOH471

site_id	AF6
Number of Residues	17
Details	binding site for residue HEM D 201

Chain	Residue
D	LEU19
D	ILE22
D	ASN23
D	ASN23
D	PHE26
D	PHE26
D	TYR45
D	TYR45
D	MET52
D	MET52
D	LYS53
D	LYS53
D	LEU71
D	HOH301
D	HOH301
D	HOH302
D	HOH302

site_id	AF7
Number of Residues	6
Details	binding site for residue FE2 D 202

Chain	Residue
D	HIS10
D	HIS107
D	HOH374
D	HOH385
D	HOH397
D	HOH403

site_id	AF8
Number of Residues	4
Details	binding site for residue FE2 D 203

Chain	Residue
D	GLU18
D	GLU51
D	HIS54
D	GLU127

site_id	AF9
Number of Residues	5
Details	binding site for residue FE2 D 204

Chain	Residue
D	GLU51
D	GLU94
D	GLU127
D	HIS130
D	HOH355

site_id	AG1
Number of Residues	6
Details	binding site for residue FE2 D 205

Chain	Residue
A	ASP118
A	HOH371
A	HOH398
D	GLU125
D	HOH407
D	HOH470

site_id	AG2
Number of Residues	6
Details	binding site for residue FE2 D 206

Chain	Residue
A	HOH307
C	GLU125
C	HOH314
C	HOH348
D	ASP118
D	HOH313

site_id	AG3
Number of Residues	5
Details	binding site for residue FE2 D 207

Chain	Residue
B	HOH495
D	ASP132
D	HOH381
D	HOH392
D	HOH469

site_id	AG4
Number of Residues	3
Details	binding site for residue FE2 D 208

Chain	Residue
D	HIS46
D	HOH387
D	HOH420

site_id	AG5
Number of Residues	1
Details	binding site for residue FE2 D 209

Chain	Residue
D	HOH480

Functional Information from PROSITE/UniProt

site_id	PS00549
Number of Residues	19
Details	BACTERIOFERRITIN Bacterioferritin signature. MkGdkkVIqhLnkiLgneL

Chain	Residue	Details
A	MET1-LEU19

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	576
Details	Domain: {"description":"Ferritin-like diiron","evidences":[{"source":"PROSITE-ProRule","id":"PRU00085","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20067302","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25640193","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3IS8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TOH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5D8P","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"20067302","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22812654","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25640193","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3IS8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4E6K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TOH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5D8P","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7K5E","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20067302","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22812654","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25640193","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3IS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4E6K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TOH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5D8P","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7K5E","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)