Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1HBU

METHYL-COENZYME M REDUCTASE IN THE MCR-RED1-SILENT STATE IN COMPLEX with COENZYME M

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0015948	biological_process	methanogenesis
A	0016740	molecular_function	transferase activity
A	0046872	molecular_function	metal ion binding
A	0050524	molecular_function	coenzyme-B sulfoethylthiotransferase activity
B	0005737	cellular_component	cytoplasm
B	0015948	biological_process	methanogenesis
B	0016740	molecular_function	transferase activity
B	0050524	molecular_function	coenzyme-B sulfoethylthiotransferase activity
C	0005737	cellular_component	cytoplasm
C	0015948	biological_process	methanogenesis
C	0016740	molecular_function	transferase activity
C	0050524	molecular_function	coenzyme-B sulfoethylthiotransferase activity
D	0005737	cellular_component	cytoplasm
D	0015948	biological_process	methanogenesis
D	0016740	molecular_function	transferase activity
D	0046872	molecular_function	metal ion binding
D	0050524	molecular_function	coenzyme-B sulfoethylthiotransferase activity
E	0005737	cellular_component	cytoplasm
E	0015948	biological_process	methanogenesis
E	0016740	molecular_function	transferase activity
E	0050524	molecular_function	coenzyme-B sulfoethylthiotransferase activity
F	0005737	cellular_component	cytoplasm
F	0015948	biological_process	methanogenesis
F	0016740	molecular_function	transferase activity
F	0050524	molecular_function	coenzyme-B sulfoethylthiotransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ZN A 1557

Chain	Residue
A	ARG102
A	SER215
A	ARG216
A	CYS218
D	ARG102
D	SER215
D	ARG216
D	CYS218

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 1558

Chain	Residue
A	VAL124
A	HOH2164
A	HOH2165
A	GLU117

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 1559

Chain	Residue
A	LYS11
A	PHE14
A	HOH2025
A	HOH2032
A	HOH2034
A	HOH2044

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 1560

Chain	Residue
A	GOL1553
A	HOH2266
D	ARG270
D	HOH2131
D	HOH2265
D	HOH2434

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 1561

Chain	Residue
A	ALA544
A	THR547
A	PRO548
A	HOH2427
A	HOH2428

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 1562

Chain	Residue
A	PRO58
A	ILE60
A	THR62
A	HOH2106
A	HOH2109
D	HOH2165

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A 1563

Chain	Residue
A	HOH2194
A	HOH2195

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A 1564

Chain	Residue
A	HOH2045
A	HOH2063

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 1565

Chain	Residue
A	HOH2018
A	HOH2019
A	HOH2040
A	HOH2059

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 1566

Chain	Residue
A	HOH2024
A	HOH2055
A	HOH2173
A	HOH2340

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA B 1445

Chain	Residue
A	HOH2099
B	ASN441
B	HOH2381
D	HOH2190
D	HOH2192

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 1446

Chain	Residue
B	ARG235
B	HOH2116

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 1447

Chain	Residue
B	ASP271
B	HOH2288
B	HOH2290
B	HOH2291
B	HOH2292

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA B 1448

Chain	Residue
B	ASP99
B	THR101
B	HOH2128
B	HOH2144
B	HOH2148
B	HOH2149

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG B 1449

Chain	Residue
B	GLU104
B	HOH2153

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 1250

Chain	Residue
C	GLU30
C	HOH2027
C	HOH2053
C	HOH2056
C	HOH2144
F	HOH2046

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG D 1557

Chain	Residue
D	GLU175
D	HOH2185
D	HOH2186
D	HOH2187

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 1558

Chain	Residue
D	LYS11
D	PHE14
D	HOH2011
D	HOH2017
D	HOH2020
D	HOH2025

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA D 1559

Chain	Residue
A	ARG270
A	HOH2261
D	GOL1554
D	HOH2272
D	HOH2438

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 1560

Chain	Residue
A	HOH2177
D	PRO58
D	ILE60
D	THR62
D	HOH2091
D	HOH2092

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL E 1445

Chain	Residue
E	ARG235
E	HOH2104
E	HOH2301

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG E 1446

Chain	Residue
E	HOH2275
E	HOH2276
E	ASP271
E	HOH2273

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG E 1447

Chain	Residue
E	HOH2032
E	HOH2097
E	HOH2098

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG E 1448

Chain	Residue
E	ASP147
E	HOH2173
E	HOH2174
E	HOH2175

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG F 1249

Chain	Residue
C	HOH2046
F	GLU30
F	HOH2052
F	HOH2055
F	HOH2146
F	HOH2151

site_id	CC8
Number of Residues	39
Details	BINDING SITE FOR RESIDUE F43 A 1550

Chain	Residue
A	GLY326
A	GLY327
A	VAL328
A	GLY329
A	PHE330
A	THR331
A	GLN332
A	TYR333
A	PHE396
A	GLY397
A	GLY442
A	PHE443
A	COM1552
A	HOH2343
A	HOH2433
A	HOH2434
A	HOH2435
A	HOH2436
A	HOH2437
B	SER365
B	ILE366
B	TYR367
C	LEU117
C	SER118
C	GLY119
C	LYS153
C	SER154
C	VAL155
C	HIS156
C	HIS158
C	HOH2156
D	ALA144
D	VAL145
D	VAL146
D	GLN147
D	GLN230
D	MET233
D	ALA243
D	HOH2241

site_id	CC9
Number of Residues	22
Details	BINDING SITE FOR RESIDUE TP7 A 1551

Chain	Residue
A	ARG270
A	LEU320
A	MET324
A	PHE330
A	PHE443
A	MET480
A	ASN481
A	VAL482
A	HOH2295
A	HOH2438
A	HOH2439
A	HOH2440
B	PHE362
B	TYR367
B	GLY368
B	GLY369
B	HIS379
B	HOH2342
D	ARG225
D	LYS256
D	MHS257
D	HOH2438

site_id	DC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE COM A 1552

Chain	Residue
A	TYR333
A	PHE443
A	TYR444
A	F431550
A	HOH2441
B	PHE361
B	SER365
B	TYR367
C	LEU117
C	ARG120

site_id	DC2
Number of Residues	38
Details	BINDING SITE FOR RESIDUE F43 D 1550

Chain	Residue
A	ALA144
A	VAL145
A	VAL146
A	GLN147
A	GLN230
A	MET233
A	ALA243
A	HOH2180
A	HOH2237
D	GLY326
D	GLY327
D	VAL328
D	GLY329
D	PHE330
D	THR331
D	GLN332
D	TYR333
D	GLY397
D	GLY442
D	PHE443
D	COM1552
D	HOH2427
D	HOH2428
D	HOH2429
D	HOH2430
E	SER365
E	ILE366
E	TYR367
F	LEU117
F	SER118
F	GLY119
F	LYS153
F	SER154
F	VAL155
F	HIS156
F	HIS158
F	HOH2162
F	HOH2165

site_id	DC3
Number of Residues	23
Details	BINDING SITE FOR RESIDUE TP7 D 1551

Chain	Residue
A	ARG225
A	LYS256
A	MHS257
D	ARG270
D	LEU320
D	MET324
D	PHE330
D	PHE443
D	MET480
D	ASN481
D	VAL482
D	HOH2300
D	HOH2375
D	HOH2431
D	HOH2432
D	HOH2433
D	HOH2434
E	PHE362
E	TYR367
E	GLY368
E	GLY369
E	HIS379
E	VAL381

site_id	DC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE COM D 1552

Chain	Residue
D	TYR333
D	PHE443
D	TYR444
D	F431550
D	HOH2435
E	PHE361
E	SER365
E	TYR367
F	LEU117
F	ARG120

site_id	DC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1553

Chain	Residue
A	SER224
A	LYS256
A	HIS262
A	GLU275
A	NA1560
A	HOH2266
D	HOH2265

site_id	DC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1554

Chain	Residue
A	ASP170
A	ALA173
A	ASP174
A	ASP183
A	ASN185
A	HOH2442
A	HOH2443

site_id	DC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1555

Chain	Residue
A	VAL519
A	LYS531
A	PHE537
A	GLU538
A	HOH2407
A	HOH2408

site_id	DC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1556

Chain	Residue
A	LYS4
A	ASP345
A	TYR348
A	GLU352
A	TYR380
A	HOH2007

site_id	DC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 1444

Chain	Residue
B	LYS3
B	GLU25
B	SER28
B	ARG31
B	GLU234
B	HOH2051
B	HOH2385
E	VAL95

site_id	EC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1249

Chain	Residue
C	TYR109
C	ARG110
C	ASP129
C	HOH2251
C	HOH2252
C	HOH2253
C	HOH2254

site_id	EC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1553

Chain	Residue
D	ALA173
D	ASP174
D	ASP183
D	ASN185
D	HOH2198
D	HOH2199
D	HOH2436
D	HOH2437

site_id	EC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1554

Chain	Residue
D	SER224
D	ARG225
D	LYS256
D	HIS262
D	GLU275
D	NA1559
D	HOH2273
D	HOH2438

site_id	EC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL D 1555

Chain	Residue
D	GLN291
D	ARG294
D	PHE513
D	ASP515
D	LEU518
D	PHE520
D	ASP521
D	PHE522
D	THR523
D	HOH2439

site_id	EC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D 1556

Chain	Residue
D	ASP345
D	GLU352
D	TYR380
D	HOH2001

site_id	EC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL E 1444

Chain	Residue
B	VAL95
E	LYS3
E	GLU25
E	SER28
E	LEU30
E	ARG31
E	GLU234
E	HOH2247

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27140643","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HBN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1MRO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M1V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3POT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5A0Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5G0R","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27140643","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HBN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1MRO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M1V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3POT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5A0Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5G0R","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"description":"in chain B","evidences":[{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27140643","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HBN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1MRO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M1V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3POT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5A0Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5G0R","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HBN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1MRO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M1V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3POT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5A0Y","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"Pros-methylhistidine","evidences":[{"source":"PubMed","id":"10660523","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"5-methylarginine","evidences":[{"source":"PubMed","id":"10660523","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"2-methylglutamine","evidences":[{"source":"PubMed","id":"10660523","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"1-thioglycine","evidences":[{"source":"PubMed","id":"10660523","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	2
Details	Modified residue: {"description":"(Z)-2,3-didehydroaspartate","evidences":[{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	2
Details	Modified residue: {"description":"S-methylcysteine","evidences":[{"source":"PubMed","id":"10660523","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27140643","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9367957","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HBN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1MRO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M1V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3POT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5A0Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5G0R","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11491299","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20707311","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21438550","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HBN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M1V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3POT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5A0Y","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1mro

Chain	Residue	Details
A	GLY465
A	ASP501
B	TYR367

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1mro

Chain	Residue	Details
D	GLY465
D	ASP501
E	TYR367

site_id	MCSA1
Number of Residues	1
Details	M-CSA 156

Chain	Residue	Details
B	TYR367	electrostatic stabiliser, proton acceptor, proton donor, proton relay, radical stabiliser
A	ASN341	electrostatic stabiliser, radical stabiliser
A	VAL457	single electron acceptor, single electron donor, single electron relay
A	ASP501	activator, electrostatic stabiliser, proton acceptor, proton donor, proton relay

site_id	MCSA2
Number of Residues	1
Details	M-CSA 156

Chain	Residue	Details
E	TYR367	electrostatic stabiliser, proton acceptor, proton donor, proton relay, radical stabiliser
D	ASN341	electrostatic stabiliser, radical stabiliser
D	VAL457	single electron acceptor, single electron donor, single electron relay
D	ASP501	activator, electrostatic stabiliser, proton acceptor, proton donor, proton relay

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)