2GSK

Structure of the BtuB:TonB Complex

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005509	molecular_function	calcium ion binding
A	0005515	molecular_function	protein binding
A	0006811	biological_process	monoatomic ion transport
A	0009279	cellular_component	cell outer membrane
A	0015288	molecular_function	porin activity
A	0015420	molecular_function	ABC-type vitamin B12 transporter activity
A	0015889	biological_process	cobalamin transport
A	0016020	cellular_component	membrane
A	0019904	molecular_function	protein domain specific binding
A	0034220	biological_process	monoatomic ion transmembrane transport
A	0035461	biological_process	vitamin transmembrane transport
A	0046872	molecular_function	metal ion binding
A	0046930	cellular_component	pore complex
A	0090482	molecular_function	vitamin transmembrane transporter activity
B	0015891	biological_process	siderophore transport
B	0030288	cellular_component	outer membrane-bounded periplasmic space
B	0031992	molecular_function	energy transducer activity
B	0055085	biological_process	transmembrane transport

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 1

Chain	Residue
A	ASP179
A	GLN191
A	ASP193
A	ASP195
A	ASP230

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 2

Chain	Residue
A	HOH813
A	HOH832
A	ASP193
A	ASP195
A	TYR229
A	ASP230

---

site_id	AC3
Number of Residues	33
Details	BINDING SITE FOR RESIDUE CNC A 701

Chain	Residue
A	ASN57
A	GLN62
A	LEU63
A	SER65
A	PHE67
A	ALA73
A	GLY89
A	VAL90
A	SER91
A	SER93
A	ASN185
A	TYR229
A	ASP230
A	ASN276
A	THR289
A	TYR328
A	TYR446
A	TYR453
A	LEU496
A	ARG497
A	TYR531
A	TYR579
A	HOH814
A	HOH821
A	HOH828
A	HOH838
A	HOH867
A	HOH873
A	HOH881
A	HOH904
A	HOH936
A	HOH971
A	HOH1028

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE LDA A 800

Chain	Residue
A	VAL154
A	LYS200
A	THR201
A	LEU202

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE LDA A 801

Chain	Residue
A	TYR203
A	TYR221
A	GLN248
A	ILE305

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LDA A 802

Chain	Residue
A	ILE380
A	TYR383
A	PHE569
A	ASP570
A	ARG584
A	OCT804

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LDA A 803

Chain	Residue
A	GLY145
A	SER146
A	ASN147
A	SER148
A	LEU588

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE OCT A 804

Chain	Residue
A	THR426
A	ARG584
A	TYR586
A	LDA802
A	HOH1031

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE OCT A 805

Chain	Residue
A	TYR333
A	ASP334
A	HOH869

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE OCT A 806

Chain	Residue
A	TRP509
A	TRP516

---

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE HEX A 807

Chain	Residue
A	THR267

---

site_id	BC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE HEX A 808

Chain	Residue
A	GLN501

---

Functional Information from PROSITE/UniProt

site_id	PS01156
Number of Residues	18
Details	TONB_DEPENDENT_REC_2 TonB-dependent receptor (TBDR) proteins signature 2. YgyqTaGReYtLSGsYtF

Chain	Residue	Details
A	TYR577-PHE594

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	278
Details	Transmembrane: {"description":"Beta stranded"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	106
Details	Topological domain: {"description":"Extracellular","evidences":[{"source":"PubMed","id":"12652322","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	32
Details	Topological domain: {"description":"Periplasmic","evidences":[{"source":"PubMed","id":"12652322","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	114
Details	Domain: {"description":"TBDR plug","evidences":[{"source":"PROSITE-ProRule","id":"PRU01360","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	459
Details	Domain: {"description":"TBDR beta-barrel","evidences":[{"source":"PROSITE-ProRule","id":"PRU01360","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	7
Details	Motif: {"description":"TonB box"}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	17
Details	Motif: {"description":"TonB C-terminal box"}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12652322","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NQH","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	7
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12652322","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---