Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4UEQ

Structure of the V74C large subunit mutant of D. fructosovorans NiFe- hydrogenase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008901	molecular_function	ferredoxin hydrogenase activity
A	0009375	cellular_component	ferredoxin hydrogenase complex
A	0051536	molecular_function	iron-sulfur cluster binding
B	0008901	molecular_function	ferredoxin hydrogenase activity
B	0009375	cellular_component	ferredoxin hydrogenase complex
B	0051536	molecular_function	iron-sulfur cluster binding
C	0008901	molecular_function	ferredoxin hydrogenase activity
C	0009375	cellular_component	ferredoxin hydrogenase complex
C	0051536	molecular_function	iron-sulfur cluster binding
D	0008901	molecular_function	ferredoxin hydrogenase activity
D	0009375	cellular_component	ferredoxin hydrogenase complex
D	0051536	molecular_function	iron-sulfur cluster binding
E	0008901	molecular_function	ferredoxin hydrogenase activity
E	0009375	cellular_component	ferredoxin hydrogenase complex
E	0051536	molecular_function	iron-sulfur cluster binding
F	0008901	molecular_function	ferredoxin hydrogenase activity
F	0009375	cellular_component	ferredoxin hydrogenase complex
F	0051536	molecular_function	iron-sulfur cluster binding
Q	0008901	molecular_function	ferredoxin hydrogenase activity
Q	0016151	molecular_function	nickel cation binding
Q	0016491	molecular_function	oxidoreductase activity
Q	0042597	cellular_component	periplasmic space
Q	0046872	molecular_function	metal ion binding
R	0008901	molecular_function	ferredoxin hydrogenase activity
R	0016151	molecular_function	nickel cation binding
R	0016491	molecular_function	oxidoreductase activity
R	0042597	cellular_component	periplasmic space
R	0046872	molecular_function	metal ion binding
S	0008901	molecular_function	ferredoxin hydrogenase activity
S	0016151	molecular_function	nickel cation binding
S	0016491	molecular_function	oxidoreductase activity
S	0042597	cellular_component	periplasmic space
S	0046872	molecular_function	metal ion binding
T	0008901	molecular_function	ferredoxin hydrogenase activity
T	0016151	molecular_function	nickel cation binding
T	0016491	molecular_function	oxidoreductase activity
T	0042597	cellular_component	periplasmic space
T	0046872	molecular_function	metal ion binding
U	0008901	molecular_function	ferredoxin hydrogenase activity
U	0016151	molecular_function	nickel cation binding
U	0016491	molecular_function	oxidoreductase activity
U	0042597	cellular_component	periplasmic space
U	0046872	molecular_function	metal ion binding
V	0008901	molecular_function	ferredoxin hydrogenase activity
V	0016151	molecular_function	nickel cation binding
V	0016491	molecular_function	oxidoreductase activity
V	0042597	cellular_component	periplasmic space
V	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 A 1265

Chain	Residue
A	HIS184
A	CYS187
A	ARG189
A	LEU190
A	CYS212
A	LEU213
A	CYS218

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE F3S A 1266

Chain	Residue
A	CYS227
A	PHE232
A	TRP237
A	CYS245
A	LEU246
A	CYS248
Q	GLN230
A	THR223
A	ASN225

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 A 1267

Chain	Residue
A	GLU16
A	CYS17
A	CYS20
A	THR113
A	CYS114
A	GLY146
A	CYS147
A	PRO148
Q	ARG70
Q	HIS228

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 B 1265

Chain	Residue
B	HIS184
B	CYS187
B	ARG189
B	LEU190
B	CYS212
B	LEU213
B	CYS218

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE F3S B 1266

Chain	Residue
B	ASN225
B	CYS227
B	PHE232
B	CYS245
B	LEU246
B	CYS248
R	LYS225
R	GLN230

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 B 1267

Chain	Residue
B	GLU16
B	CYS17
B	CYS20
B	THR113
B	CYS114
B	GLY146
B	CYS147
B	PRO148
R	ARG70
R	HIS228

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 C 1265

Chain	Residue
C	HIS184
C	CYS187
C	ARG189
C	LEU190
C	CYS212
C	LEU213
C	CYS218

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE F3S C 1266

Chain	Residue
C	THR223
C	ASN225
C	CYS227
C	PHE232
C	TRP237
C	CYS245
C	LEU246
C	CYS248
S	GLN230

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SF4 C 1267

Chain	Residue
C	CYS17
C	CYS20
C	THR113
C	CYS114
C	GLY146
C	CYS147
C	PRO148
S	ARG70
S	HIS228

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 D 1265

Chain	Residue
D	HIS184
D	CYS187
D	ARG189
D	LEU190
D	CYS212
D	LEU213
D	CYS218

site_id	BC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE F3S D 1266

Chain	Residue
D	THR223
D	ASN225
D	CYS227
D	PHE232
D	TRP237
D	CYS245
D	LEU246
D	CYS248
T	LYS225
T	GLN230

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 D 1267

Chain	Residue
D	CYS147
D	PRO148
T	ARG70
T	HIS228
D	GLU16
D	CYS17
D	CYS20
D	THR113
D	CYS114
D	GLY146

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 E 1265

Chain	Residue
E	HIS184
E	CYS187
E	ARG189
E	LEU190
E	CYS212
E	LEU213
E	CYS218

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE F3S E 1266

Chain	Residue
E	ASN225
E	CYS227
E	PHE232
E	CYS245
E	LEU246
E	CYS248
U	LYS225
U	GLN230

site_id	BC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 E 1267

Chain	Residue
E	GLU16
E	CYS17
E	CYS20
E	THR113
E	CYS114
E	GLY146
E	CYS147
E	PRO148
U	ARG70
U	HIS228

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SF4 F 1265

Chain	Residue
F	HIS184
F	CYS187
F	ARG189
F	LEU190
F	CYS212
F	LEU213
F	CYS218
F	PRO221

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE F3S F 1266

Chain	Residue
F	THR223
F	ASN225
F	CYS227
F	PHE232
F	TRP237
F	CYS245
F	LEU246
F	CYS248
V	GLN230

site_id	BC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SF4 F 1267

Chain	Residue
F	GLU16
F	CYS17
F	CYS20
F	THR113
F	CYS114
F	GLY146
F	CYS147
F	PRO148
V	ARG70

site_id	CC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE FCO Q 1550

Chain	Residue
Q	CYS75
Q	VAL78
Q	HIS79
Q	ALA474
Q	PRO475
Q	ARG476
Q	LEU479
Q	VAL497
Q	PRO498
Q	SER499
Q	CYS546
Q	NI1551
Q	HOH2068

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NI Q 1551

Chain	Residue
Q	CYS72
Q	CYS75
Q	CSS543
Q	CYS546
Q	FCO1550
Q	HOH2068

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG Q 1553

Chain	Residue
Q	GLU53
Q	LEU495
Q	HIS549
Q	HOH2046
Q	HOH2047
Q	HOH2278

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG Q 1560

Chain	Residue
C	HOH2167
C	HOH2170
C	HOH2188
Q	ASN181
Q	HOH2159
Q	HOH2160

site_id	CC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL Q 1561

Chain	Residue
Q	ARG100
Q	ASN104
Q	PHE295
Q	ALA296
Q	THR297
Q	GLU445
Q	HOH2105
Q	HOH2247
Q	HOH2396

site_id	CC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL Q 1562

Chain	Residue
A	ALA55
C	PHE198
C	HOH2168
C	HOH2188
Q	ASN181
Q	ALA182
Q	TYR183
Q	LEU185
Q	ARG529

site_id	CC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE FCO R 1550

Chain	Residue
R	CYS75
R	VAL78
R	HIS79
R	ALA474
R	PRO475
R	ARG476
R	LEU479
R	VAL497
R	PRO498
R	SER499
R	CYS546
R	NI1551
R	HOH2062

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NI R 1551

Chain	Residue
R	CYS72
R	CYS75
R	CSS543
R	CYS546
R	FCO1550
R	HOH2062

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG R 1553

Chain	Residue
R	GLU53
R	LEU495
R	HIS549
R	HOH2040
R	HOH2041
R	HOH2249

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG R 1560

Chain	Residue
B	HOH2069
D	HOH2231
D	HOH2234
D	HOH2252
R	ASN181
R	HOH2148

site_id	DC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL R 1561

Chain	Residue
B	ALA55
D	PHE198
D	HOH2232
D	HOH2252
R	ASN181
R	ALA182
R	TYR183
R	LEU185
R	ARG529

site_id	DC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL R 1563

Chain	Residue
R	ARG100
R	ASN104
R	PHE295
R	ALA296
R	THR297
R	GLU445
R	HOH2092
R	HOH2222
R	HOH2345

site_id	DC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE FCO S 1550

Chain	Residue
S	CYS75
S	VAL78
S	HIS79
S	ALA474
S	PRO475
S	ARG476
S	LEU479
S	VAL497
S	PRO498
S	SER499
S	CYS546
S	NI1551
S	HOH2042

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NI S 1551

Chain	Residue
S	CYS72
S	CYS75
S	CSS543
S	CYS546
S	FCO1550
S	HOH2042

site_id	DC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG S 1553

Chain	Residue
S	GLU53
S	LEU495
S	HIS549
S	HOH2024
S	HOH2025
S	HOH2182

site_id	DC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL S 1561

Chain	Residue
S	ARG100
S	ASN104
S	PHE295
S	ALA296
S	GLN310
S	GLU445
S	HOH2068
S	HOH2164
S	HOH2247

site_id	DC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE FCO T 1550

Chain	Residue
T	CYS75
T	VAL78
T	HIS79
T	ALA474
T	PRO475
T	ARG476
T	LEU479
T	VAL497
T	PRO498
T	SER499
T	CSS543
T	CYS546
T	NI1551
T	HOH2078

site_id	DC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NI T 1551

Chain	Residue
T	CYS72
T	CYS75
T	CSS543
T	CYS546
T	FCO1550
T	HOH2078

site_id	EC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG T 1553

Chain	Residue
T	GLU53
T	LEU495
T	HIS549
T	HOH2050
T	HOH2051
T	HOH2290

site_id	EC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG T 1560

Chain	Residue
D	HOH2089
F	HOH2153
F	HOH2157
F	HOH2171
T	ASN181
T	HOH2177

site_id	EC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL T 1561

Chain	Residue
T	ARG100
T	ASN104
T	PHE295
T	ALA296
T	THR297
T	GLU445
T	HOH2119
T	HOH2402

site_id	EC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL T 1562

Chain	Residue
D	ALA55
F	PHE198
F	HOH2154
F	HOH2171
T	ASN181
T	ALA182
T	TYR183
T	LEU185
T	ARG529

site_id	EC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE FCO U 1550

Chain	Residue
U	CYS75
U	VAL78
U	HIS79
U	ALA474
U	PRO475
U	ARG476
U	LEU479
U	VAL497
U	PRO498
U	SER499
U	CYS546
U	NI1551
U	HOH2073

site_id	EC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NI U 1551

Chain	Residue
U	CYS72
U	CYS75
U	CSS543
U	CYS546
U	FCO1550
U	HOH2073

site_id	EC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG U 1553

Chain	Residue
U	GLU53
U	LEU495
U	HIS549
U	HOH2048
U	HOH2049
U	HOH2255

site_id	EC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG U 1560

Chain	Residue
A	HOH2228
A	HOH2231
A	HOH2251
U	ASN181
U	HOH2152
U	HOH2153

site_id	EC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL U 1561

Chain	Residue
A	PHE198
A	HOH2229
A	HOH2251
E	ALA55
U	ASN181
U	ALA182
U	TYR183
U	LEU185
U	ARG529

site_id	FC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL U 1563

Chain	Residue
U	ARG100
U	ASN104
U	PHE295
U	ALA296
U	THR297
U	GLN310
U	TRP442
U	GLU445
U	HOH2102
U	HOH2224
U	HOH2348

site_id	FC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE FCO V 1550

Chain	Residue
V	CYS75
V	VAL78
V	HIS79
V	ALA474
V	PRO475
V	ARG476
V	LEU479
V	VAL497
V	PRO498
V	SER499
V	CYS546
V	NI1551
V	HOH2042

site_id	FC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NI V 1551

Chain	Residue
V	CYS72
V	CYS75
V	CSS543
V	CYS546
V	FCO1550
V	HOH2042

site_id	FC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG V 1553

Chain	Residue
V	GLU53
V	LEU495
V	HIS549
V	HOH2024
V	HOH2025
V	HOH2181

site_id	FC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL V 1561

Chain	Residue
V	ARG100
V	ASN104
V	PHE295
V	ALA296
V	THR297
V	GLN310
V	GLU445
V	HOH2073
V	HOH2167
V	HOH2241

site_id	FC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CO3 V 1562

Chain	Residue
F	LYS122
F	ASP252

Functional Information from PROSITE/UniProt

site_id	PS00508
Number of Residues	10
Details	NI_HGENASE_L_2 Nickel-dependent hydrogenases large subunit signature 2. FDPCIACgv.H

Chain	Residue	Details
Q	PHE540-HIS549

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