1HBM

METHYL-COENZYME M REDUCTASE ENZYME PRODUCT COMPLEX

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	6
Details	BINDING SITE FOR RESIDUE NA A1556

Chain	Residue
A	LYS11
A	PHE14
A	HOH2027
A	HOH2035
A	HOH2036
A	HOH2044

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A1557

Chain	Residue
D	GOL1553
D	HOH2437
A	ARG270
A	HOH2261
A	HOH2420

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A1558

Chain	Residue
A	ALA544
A	THR547
A	PRO548
A	HOH2407
A	HOH2410

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A1559

Chain	Residue
A	PRO58
A	ILE60
A	THR62
A	HOH2110
A	HOH2113
D	HOH2172

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA B1445

Chain	Residue
A	HOH2102
B	ASN441
B	HOH2368
D	HOH2197
D	HOH2198

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B1446

Chain	Residue
B	ARG235
B	HOH2109
B	HOH2248

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA B1447

Chain	Residue
B	ASP99
B	THR101
B	HOH2122
B	HOH2140
B	HOH2145
B	HOH2147

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C1250

Chain	Residue
C	GLU30
C	HOH2027
C	HOH2055
C	HOH2058
C	HOH2152
F	HOH2040

---

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ZN D1556

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

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D1557

Chain	Residue
D	LYS11
D	PHE14
D	HOH2016
D	HOH2017
D	HOH2022
D	HOH2028

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA D1558

Chain	Residue
A	GOL1552
D	ARG270
D	HOH2139
D	HOH2266
D	HOH2432

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D1559

Chain	Residue
A	HOH2174
D	PRO58
D	ILE60
D	THR62
D	HOH2098
D	HOH2103

---

site_id	BC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL E1445

Chain	Residue
E	ARG235

---

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG F1249

Chain	Residue
C	HOH2050
F	GLU30
F	HOH2018
F	HOH2044
F	HOH2048
F	HOH2143

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG F1250

Chain	Residue
E	HOH2036
E	HOH2037
E	HOH2100
E	HOH2101

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG F1251

Chain	Residue
A	HOH2018
A	HOH2019
A	HOH2021
A	HOH2040
A	HOH2058

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG F1252

Chain	Residue
A	HOH2025
A	HOH2053
A	HOH2330

---

site_id	BC9
Number of Residues	38
Details	BINDING SITE FOR RESIDUE F43 A1550

Chain	Residue
A	HOH2413
A	HOH2414
A	HOH2415
A	HOH2416
A	HOH2417
B	SER365
B	ILE366
B	TYR367
C	LEU117
C	SER118
C	GLY119
C	LYS153
C	SER154
C	VAL155
C	HIS156
C	HIS158
C	HOH2126
C	HOH2160
D	ALA144
D	VAL145
D	VAL146
D	GLN147
D	GLN230
D	MET233
D	ALA243
A	GLY326
A	GLY327
A	VAL328
A	GLY329
A	PHE330
A	THR331
A	GLN332
A	TYR333
A	GLY397
A	GLY442
A	PHE443
A	SHT1551
A	HOH2334

---

site_id	CC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE SHT A1551

Chain	Residue
A	ARG270
A	LEU320
A	MET324
A	SER325
A	PHE330
A	TYR333
A	PHE443
A	MET480
A	VAL482
A	F431550
A	HOH2418
A	HOH2419
A	HOH2420
A	HOH2421
A	HOH2422
A	HOH2423
B	TYR367
B	GLY368
B	GLY369
B	HIS379
B	ILE380
D	ARG225
D	LYS256
D	MHS257

---

site_id	CC2
Number of Residues	38
Details	BINDING SITE FOR RESIDUE F43 D1550

Chain	Residue
A	ALA144
A	VAL145
A	VAL146
A	GLN147
A	GLN230
A	MET233
A	ALA243
A	HOH2176
A	HOH2235
D	GLY326
D	GLY327
D	VAL328
D	GLY329
D	PHE330
D	THR331
D	GLN332
D	TYR333
D	GLY397
D	GLY442
D	PHE443
D	SHT1551
D	HOH2425
D	HOH2426
D	HOH2427
D	HOH2428
D	HOH2429
E	SER365
E	ILE366
E	TYR367
F	LEU117
F	SER118
F	GLY119
F	LYS153
F	SER154
F	VAL155
F	HIS156
F	HIS158
F	HOH2153

---

site_id	CC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE SHT D1551

Chain	Residue
A	ARG225
A	LYS256
A	MHS257
D	ARG270
D	LEU320
D	MET324
D	PHE330
D	TYR333
D	PHE443
D	MET480
D	VAL482
D	F431550
D	HOH2430
D	HOH2431
D	HOH2432
D	HOH2433
D	HOH2434
D	HOH2435
E	TYR367
E	GLY369
E	HIS379
E	ILE380

---

site_id	CC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A1552

Chain	Residue
A	SER224
A	LYS256
A	HIS262
A	GLU275
A	HOH2424
D	NA1558
D	HOH2266
D	HOH2432

---

site_id	CC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A1553

Chain	Residue
A	ASP170
A	ALA173
A	ASP174
A	ASP183
A	ASN185
A	HOH2425
A	HOH2426

---

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A1554

Chain	Residue
A	VAL519
A	LYS531
A	PHE537
A	GLU538
A	HOH2382
A	HOH2392
A	HOH2393

---

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A1555

Chain	Residue
A	LYS4
A	ASP345
A	TYR348
A	GLU352
A	TYR380
A	HOH2008

---

site_id	CC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B1444

Chain	Residue
B	LYS3
B	GLU25
B	SER28
B	ARG31
B	GLU234
B	HOH2250
B	HOH2369
E	VAL95

---

site_id	CC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C1249

Chain	Residue
C	TYR109
C	ARG110
C	ASP129
C	HOH2134
C	HOH2255
C	HOH2256
C	HOH2257

---

site_id	DC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D1552

Chain	Residue
D	ASP170
D	ALA173
D	ASP174
D	ASP183
D	ASN185
D	HOH2203
D	HOH2204
D	HOH2436

---

site_id	DC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D1553

Chain	Residue
A	NA1557
A	HOH2420
D	SER224
D	LYS256
D	MHS257
D	HIS262
D	GLU275

---

site_id	DC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D1554

Chain	Residue
D	GLN291
D	ARG294
D	PHE513
D	ASP515
D	ASP516
D	PHE520
D	ASP521
D	PHE522
D	THR523

---

site_id	DC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D1555

Chain	Residue
D	ASP345
D	TYR348
D	GLU352
D	TYR380

---

site_id	DC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E1444

Chain	Residue
B	VAL95
E	LYS3
E	GLU25
E	SER28
E	ARG31
E	GLU234
E	HOH2353

---

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
D	GLY465
D	ASP501
B	TYR367

---

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

Chain	Residue	Details
A	GLY465
A	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

---