1E08

Structural model of the [Fe]-Hydrogenase/cytochrome c553 complex combining NMR and soft-docking

Functional Information from GO Data

Chain	GOid	namespace	contents
D	0008901	molecular_function	ferredoxin hydrogenase activity
D	0016491	molecular_function	oxidoreductase activity
D	0042597	cellular_component	periplasmic space
D	0046872	molecular_function	metal ion binding
D	0051536	molecular_function	iron-sulfur cluster binding
E	0042597	cellular_component	periplasmic space
E	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE FE2 A 5

Chain	Residue
A	PDT4
A	FE26
A	CYN7
A	CYN8
A	CMO9
A	CMO10
A	HOH11
A	ALA293

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE FE2 A 6

Chain	Residue
A	FE25
A	CYN7
A	CYN8
A	CMO9
A	CMO10
A	HOH11
A	PRO108
A	THR145
A	ALA149
A	PDT4

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 12

Chain	Residue
D	HIS82
D	LYS83
D	HIS85
D	ASP86

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CYN A 7

Chain	Residue
A	PDT4
A	FE25
A	FE26
A	CYN8
A	CMO9
A	CMO10
A	HOH11
A	ALA149
A	PRO203
A	PHE296

---

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CYN A 8

Chain	Residue
A	PDT4
A	FE25
A	FE26
A	CYN7
A	CMO9
A	CMO10
A	HOH11
A	PRO108
A	ALA109
A	ALA293
A	THR294
A	ILE295
A	PHE296

---

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE SF4 A 1

Chain	Residue
A	ILE30
A	LYS34
A	CYS35
A	ILE36
A	GLY37
A	CYS38
A	ASP39
A	CYS41
A	SER42
A	HIS58
A	HIS75
A	CYS76
A	ILE81

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SF4 A 2

Chain	Residue
A	VAL28
A	TYR44
A	CYS45
A	CYS66
A	ASN68
A	CYS69
A	GLY70
A	CYS72

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 A 3

Chain	Residue
A	CYS69
A	CYS179
A	PRO180
A	CYS234
A	LYS237
A	MET376
A	ALA377
A	CYS378
A	CYS382
A	GLY385

---

site_id	AC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE PDT A 4

Chain	Residue
A	FE25
A	FE26
A	CYN7
A	CYN8
A	CMO9
A	CMO10
A	ALA107
A	PRO108
A	ALA109
A	VAL110
A	LYS237
A	ILE295
A	PHE296
A	GLY297

---

site_id	BC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CMO A 9

Chain	Residue
A	THR145
A	PRO203
A	PDT4
A	FE25
A	FE26
A	CYN7
A	CYN8
A	CMO10
A	HOH11
A	ALA107
A	PRO108

---

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CMO A 10

Chain	Residue
A	PDT4
A	FE25
A	FE26
A	CYN7
A	CYN8
A	CMO9
A	HOH11
A	ALA293
A	THR294
A	ILE295
A	PHE296

---

site_id	BC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM E 80

Chain	Residue
A	CYS38
A	GLY55
E	CYS10
E	CYS13
E	HIS14
E	MET23
E	GLY24
E	ALA26
E	LYS27
E	GLN32
E	LEU37
E	MET41
E	TYR44
E	TYR49
E	GLY51
E	GLU52
E	ARG53
E	MET56
E	MET57
E	TYR64

---

Functional Information from PROSITE/UniProt

site_id	PS00198
Number of Residues	12
Details	4FE4S_FER_1 4Fe-4S ferredoxin-type iron-sulfur binding region signature. CiGCDtCSqYCP

Chain	Residue	Details
A	CYS35-PRO46
A	CYS66-PRO77

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: covalent

Chain	Residue	Details
E	CYS10
A	CYS234
A	CYS378
A	CYS382
E	CYS13
A	CYS41
A	CYS45
A	CYS66
A	CYS69
A	CYS72
A	CYS76
A	CYS179

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: axial binding residue

Chain	Residue	Details
E	HIS14
E	MET57

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1hfe

Chain	Residue	Details
A	LYS237
A	CYS178

---

site_id	MCSA1
Number of Residues	8
Details	M-CSA 127

Chain	Residue	Details
A	GLU156	proton acceptor, proton donor, proton relay
A	GLU159	proton acceptor, proton donor, proton relay
A	CYS178	proton acceptor, proton donor, proton relay
A	SER198	proton acceptor, proton donor, proton relay
A	LYS237	proton acceptor, proton donor, proton relay
A	GLU240	proton acceptor, proton donor, proton relay
A	GLU245	proton acceptor, proton donor, proton relay
A	CYS382	metal ligand

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