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1HBN

METHYL-COENZYME M REDUCTASE

Functional Information from GO Data
ChainGOidnamespacecontents
A0005737cellular_componentcytoplasm
A0015948biological_processmethanogenesis
A0016740molecular_functiontransferase activity
A0046872molecular_functionmetal ion binding
A0050524molecular_functioncoenzyme-B sulfoethylthiotransferase activity
B0005737cellular_componentcytoplasm
B0015948biological_processmethanogenesis
B0016740molecular_functiontransferase activity
B0050524molecular_functioncoenzyme-B sulfoethylthiotransferase activity
C0005737cellular_componentcytoplasm
C0015948biological_processmethanogenesis
C0016740molecular_functiontransferase activity
C0050524molecular_functioncoenzyme-B sulfoethylthiotransferase activity
D0005737cellular_componentcytoplasm
D0015948biological_processmethanogenesis
D0016740molecular_functiontransferase activity
D0046872molecular_functionmetal ion binding
D0050524molecular_functioncoenzyme-B sulfoethylthiotransferase activity
E0005737cellular_componentcytoplasm
E0015948biological_processmethanogenesis
E0016740molecular_functiontransferase activity
E0050524molecular_functioncoenzyme-B sulfoethylthiotransferase activity
F0005737cellular_componentcytoplasm
F0015948biological_processmethanogenesis
F0016740molecular_functiontransferase activity
F0050524molecular_functioncoenzyme-B sulfoethylthiotransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ZN A 1557
ChainResidue
AARG102
ASER215
AARG216
ACYS218
DARG102
DSER215
DARG216
DCYS218

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 1558
ChainResidue
AVAL124
AHOH2192
AHOH2193
AGLU117

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 1559
ChainResidue
ALYS11
APHE14
AHOH2028
AHOH2029
AHOH2037
AHOH2050

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 1560
ChainResidue
AGOL1553
AHOH2487
DARG270
DHOH2314
DHOH2501

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 1561
ChainResidue
AALA544
ATHR547
APRO548
AHOH2467
AHOH2472

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 1562
ChainResidue
APRO58
AILE60
ATHR62
AHOH2126
AHOH2129
DHOH2200

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 1563
ChainResidue
AHOH2230
AHOH2432
DHOH2049

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG A 1564
ChainResidue
AHOH2227
AHOH2228

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG A 1565
ChainResidue
AHOH2048
AHOH2065

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 1566
ChainResidue
AHOH2019
AHOH2021
AHOH2022
AHOH2044
AHOH2066

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 1567
ChainResidue
AHOH2027
AHOH2061
AHOH2201
AHOH2380

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA B 1445
ChainResidue
AHOH2118
BASN441
BHOH2419
DHOH2230
DHOH2231

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1446
ChainResidue
BARG235
BALA300
BHOH2126
BHOH2283
BHOH2349

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 1447
ChainResidue
BASP271
BHOH2312
BHOH2314
BHOH2316
BHOH2317

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA B 1448
ChainResidue
BASP99
BTHR101
BHOH2139
BHOH2154
BHOH2162
BHOH2164

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG B 1449
ChainResidue
BHOH2068
BHOH2170
BHOH2171
BHOH2401

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG C 1250
ChainResidue
CGLU30
CHOH2062
CHOH2066
CHOH2172
CHOH2179
FHOH2049

site_idBC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG C 1251
ChainResidue
CHOH2073
FHOH2222

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG D 1557
ChainResidue
DGLU175
DHOH2121
DHOH2223
DHOH2226
DHOH2227

site_idCC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE MG D 1558
ChainResidue
DASP356

site_idCC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA D 1559
ChainResidue
DLYS11
DPHE14
DHOH2013
DHOH2014
DHOH2023
DHOH2028

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA D 1560
ChainResidue
DHOH2507
AARG270
AHOH2302
AHOH2481
DGOL1554

site_idCC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA D 1561
ChainResidue
AHOH2206
DPRO58
DILE60
DTHR62
DHOH2113
DHOH2115

site_idCC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL E 1445
ChainResidue
EARG235

site_idCC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG E 1446
ChainResidue
EASP271
EHOH2305
EHOH2308
EHOH2309

site_idCC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG E 1447
ChainResidue
EASP147
EHOH2079
EHOH2205
EHOH2206
EHOH2208

site_idCC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG E 1448
ChainResidue
EHOH2013
EHOH2015
EHOH2390
FHOH2106

site_idDC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG E 1449
ChainResidue
EHOH2035
EHOH2036
EHOH2120
EHOH2121

site_idDC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG E 1450
ChainResidue
EHOH2138
EHOH2164

site_idDC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG F 1249
ChainResidue
CHOH2056
FGLU30
FHOH2022
FHOH2057
FHOH2060
FHOH2169

site_idDC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG F 1250
ChainResidue
FGLU34
FASP35
FLYS38
FHOH2061

site_idDC5
Number of Residues39
DetailsBINDING SITE FOR RESIDUE F43 A 1550
ChainResidue
AGLY326
AGLY327
AVAL328
AGLY329
APHE330
ATHR331
AGLN332
ATYR333
APHE396
AGLY397
AGLY442
APHE443
ACOM1552
AHOH2384
AHOH2476
AHOH2477
AHOH2478
AHOH2479
AHOH2480
BSER365
BILE366
BTYR367
CLEU117
CSER118
CGLY119
CLYS153
CSER154
CVAL155
CHIS156
CHIS158
CHOH2189
DALA144
DVAL145
DVAL146
DGLN147
DGLN230
DMET233
DALA243
DHOH2288

site_idDC6
Number of Residues19
DetailsBINDING SITE FOR RESIDUE TP7 A 1551
ChainResidue
AARG270
ALEU320
AMET324
APHE443
AMET480
AASN481
AVAL482
AHOH2481
AHOH2482
AHOH2483
AHOH2484
AHOH2485
BTYR367
BGLY369
BHIS379
BILE380
DARG225
DLYS256
DMHS257

site_idDC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE COM A 1552
ChainResidue
ATYR333
APHE443
ATYR444
AF431550
AHOH2486
BPHE361
BSER365
BTYR367
CLEU117
CARG120

site_idDC8
Number of Residues39
DetailsBINDING SITE FOR RESIDUE F43 D 1550
ChainResidue
AALA144
AVAL145
AVAL146
AGLN147
AGLN230
AMET233
AALA243
AHOH2276
DGLY326
DGLY327
DVAL328
DGLY329
DPHE330
DTHR331
DGLN332
DTYR333
DPHE396
DGLY397
DGLY442
DPHE443
DCOM1552
DHOH2400
DHOH2494
DHOH2495
DHOH2496
DHOH2497
DHOH2498
ESER365
EILE366
ETYR367
FLEU117
FSER118
FGLY119
FLYS153
FSER154
FVAL155
FHIS156
FHIS158
FHOH2179

site_idDC9
Number of Residues19
DetailsBINDING SITE FOR RESIDUE TP7 D 1551
ChainResidue
AARG225
ALYS256
AMHS257
DARG270
DLEU320
DMET324
DPHE443
DMET480
DASN481
DVAL482
DHOH2499
DHOH2500
DHOH2501
DHOH2502
DHOH2503
ETYR367
EGLY369
EHIS379
EILE380

site_idEC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE COM D 1552
ChainResidue
DTYR333
DPHE443
DTYR444
DF431550
DHOH2504
EPHE361
ESER365
ETYR367
FLEU117
FARG120

site_idEC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1553
ChainResidue
ASER224
ALYS256
AHIS262
AGLU275
ANA1560
DHOH2314

site_idEC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1554
ChainResidue
AASP170
AALA173
AASP174
AASP183
AASN185
AHOH2236
AHOH2488

site_idEC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1555
ChainResidue
ALYS531
APHE537
AGLU538
AHOH2449
AHOH2450

site_idEC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1556
ChainResidue
ALYS4
AASP345
ATYR348
AGLU352
ATYR380
AHOH2008

site_idEC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1444
ChainResidue
BGLU25
BSER28
BLEU30
BARG31
BGLU234
BHOH2422
EVAL95

site_idEC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL C 1249
ChainResidue
CTYR109
CARG110
CASP129
CHOH2154
CHOH2292
CHOH2293
CHOH2294

site_idEC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL D 1553
ChainResidue
DASP170
DALA173
DASP174
DASP183
DASN185
DHOH2239
DHOH2505
DHOH2506

site_idEC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL D 1554
ChainResidue
AHOH2481
DSER224
DLYS256
DMHS257
DHIS262
DGLU275
DNA1560

site_idFC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL D 1555
ChainResidue
DGLN291
DARG294
DPHE513
DASP515
DPHE520
DASP521
DPHE522

site_idFC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL D 1556
ChainResidue
DASP345
DGLU352
DTYR380
DHOH2001
DHOH2510

site_idFC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL E 1444
ChainResidue
BVAL95
ELYS3
EGLU25
ESER28
ELEU30
EARG31
EGLU234

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBinding 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"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsBinding 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"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsBinding 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"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues6
DetailsBinding 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"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsModified 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"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues2
DetailsModified 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"}]}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues2
DetailsModified 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"}]}
ChainResidueDetails

site_idSWS_FT_FI8
Number of Residues2
DetailsModified 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"}]}
ChainResidueDetails

site_idSWS_FT_FI9
Number of Residues2
DetailsModified residue: {"description":"(Z)-2,3-didehydroaspartate","evidences":[{"source":"PubMed","id":"27467699","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI10
Number of Residues2
DetailsModified 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"}]}
ChainResidueDetails

site_idSWS_FT_FI11
Number of Residues2
DetailsBinding 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"}]}
ChainResidueDetails

site_idSWS_FT_FI12
Number of Residues2
DetailsBinding 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"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1mro
ChainResidueDetails
AGLY465
AASP501
BTYR367

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1mro
ChainResidueDetails
DGLY465
DASP501
ETYR367

site_idMCSA1
Number of Residues1
DetailsM-CSA 156
ChainResidueDetails
BTYR367electrostatic stabiliser, proton acceptor, proton donor, proton relay, radical stabiliser
AASN341electrostatic stabiliser, radical stabiliser
AVAL457single electron acceptor, single electron donor, single electron relay
AASP501activator, electrostatic stabiliser, proton acceptor, proton donor, proton relay

site_idMCSA2
Number of Residues1
DetailsM-CSA 156
ChainResidueDetails
ETYR367electrostatic stabiliser, proton acceptor, proton donor, proton relay, radical stabiliser
DASN341electrostatic stabiliser, radical stabiliser
DVAL457single electron acceptor, single electron donor, single electron relay
DASP501activator, electrostatic stabiliser, proton acceptor, proton donor, proton relay

246905

PDB entries from 2025-12-31

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