Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5A8K

METHYL-COENZYME M REDUCTASE FROM METHANOTHERMOBACTER WOLFEII AT 1.4 A RESOLUTION

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	39
Details	BINDING SITE FOR RESIDUE F43 D 1550

Chain	Residue
A	ALA144
A	HOH2246
A	HOH2248
A	HOH2343
D	GLY326
D	GLY327
D	VAL328
D	GLY329
D	PHE330
D	THR331
D	GLN332
A	VAL145
D	TYR333
D	PHE396
D	GLY397
D	GLY442
D	PHE443
D	COM555
D	HOH2409
D	HOH2485
D	HOH2486
E	SER365
A	VAL146
E	ILE366
E	TYR367
F	LEU117
F	SER118
F	GLY119
F	LYS153
F	SER154
F	VAL155
F	HIS156
F	HIS158
A	GLN147
A	GLN230
A	MET233
A	ALA243
A	HOH2241
A	HOH2245

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE COM A 556

Chain	Residue
A	TYR333
A	PHE443
A	TYR444
A	F431550
A	HOH2574
A	HOH2575
B	PHE361
B	SER365
B	TYR367
C	LEU117
C	ARG120

site_id	AC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE TP7 A 558

Chain	Residue
A	ARG270
A	LEU320
A	MET324
A	PHE330
A	PHE443
A	MET480
A	ASN481
A	VAL482
A	HOH2375
A	HOH2382
A	HOH2526
A	HOH2576
A	HOH2577
B	PHE362
B	TYR367
B	GLY369
B	HIS379
B	ILE380
D	ARG225
D	LYS256
D	MHS257

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE K A 561

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

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 562

Chain	Residue
A	GLU190
A	GLU194
A	HOH2293
A	HOH2294
A	HOH2304
A	HOH2306

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA A 563

Chain	Residue
A	PRO58
A	ILE60
A	THR62
A	HOH2130
A	HOH2137
A	HOH2139
A	HOH2144

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA A 564

Chain	Residue
A	LYS11
A	PHE14
A	HOH2024
A	HOH2025
A	HOH2026
A	HOH2027
A	HOH2036

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA A 565

Chain	Residue
A	ASP174
A	HOH2267
A	HOH2274
A	HOH2276
A	HOH2278
A	HOH2579
C	HOH2041

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K A 566

Chain	Residue
A	ASP170
A	HOH2140
A	HOH2265
A	HOH2266
A	HOH2268
A	HOH2269
A	HOH2312

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA B 444

Chain	Residue
B	HOH2037
B	HOH2039
B	HOH2444
B	HOH2445

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K C 250

Chain	Residue
C	SER51
C	ALA78
C	HOH2090
C	HOH2093
C	HOH2096
C	HOH2097
C	HOH2140

site_id	BC3
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	COM556
A	HOH2420
A	HOH2480
A	HOH2580
A	HOH2581
A	HOH2582
A	HOH2583
A	HOH2584
A	HOH2585
B	SER365
B	ILE366
B	TYR367
C	LEU117
C	SER118
C	GLY119
C	LYS153
C	SER154
C	VAL155
C	HIS156
C	HIS158
D	ALA144
D	VAL145
D	VAL146
D	GLN147
D	GLN230
D	MET233
D	ALA243

site_id	BC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE TP7 D 554

Chain	Residue
A	ARG225
A	LYS256
A	MHS257
A	HOH2355
D	ARG270
D	LEU320
D	MET324
D	PHE330
D	PHE443
D	MET480
D	ASN481
D	VAL482
D	HOH2317
D	HOH2324
D	HOH2449
D	HOH2483
E	PHE362
E	TYR367
E	GLY369
E	HIS379
E	ILE380

site_id	BC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE COM D 555

Chain	Residue
A	HOH2345
D	TYR333
D	PHE443
D	TYR444
D	F431550
D	HOH2354
E	PHE361
E	SER365
E	TYR367
F	LEU117
F	ARG120

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA D 556

Chain	Residue
D	LYS11
D	PHE14
D	HOH2035
D	HOH2036
D	HOH2037
D	HOH2038
D	HOH2049

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA D 557

Chain	Residue
A	HOH2239
A	HOH2242
D	PRO58
D	ILE60
D	THR62
D	HOH2140
D	HOH2142

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA D 558

Chain	Residue
D	ASP170
D	HOH2233
D	HOH2235
D	HOH2237
D	HOH2238
D	HOH2239
D	HOH2484

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA D 559

Chain	Residue
D	ASP174
D	HOH2236
D	HOH2248
D	HOH2250
D	HOH2262
E	HOH2399
E	HOH2401

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 560

Chain	Residue
D	GLU190
D	GLU194
D	HOH2260
D	HOH2261
D	HOH2272
D	HOH2274

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K D 561

Chain	Residue
B	HOH2160
D	VAL124
D	ETX1552
D	HOH2187
D	HOH2188
D	HOH2199
D	HOH2487

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA E 444

Chain	Residue
E	ASP271
E	HOH2305
E	HOH2307
E	HOH2308
E	HOH2309

site_id	CC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE K E 445

Chain	Residue
C	ASP60
C	HOH2115
C	HOH2117
C	HOH2118
E	LYS7
E	HOH2012
E	HOH2013
E	HOH2282

site_id	CC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA F 250

Chain	Residue
F	SER51
F	ALA78
F	HOH2091
F	HOH2094
F	HOH2098
F	HOH2099
F	HOH2125

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG F 251

Chain	Residue
C	GLU164
F	VAL219
F	HOH2218
F	HOH2219
F	HOH2221
F	HOH2251

site_id	CC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ETX E 1444

Chain	Residue
B	ASP122
B	HOH2218
B	HOH2219
E	GLN40
E	PHE121
E	ASP122
E	ETX1451

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ETX B 1444

Chain	Residue
B	GLN40
B	LYS43
B	PHE121
B	HOH2079
B	HOH2080
E	PHE121

site_id	CC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ETX E 1445

Chain	Residue
A	GLY29
A	TRP31
A	HOH2084
E	GLU83
E	HOH2414
E	HOH2415
E	HOH2416

site_id	DC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ETX A 1551

Chain	Residue
A	ASP515
A	ASP516
A	LEU518
A	PHE520
A	ASP521
A	PHE522
A	ETX1555
A	HOH2394

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ETX F 1250

Chain	Residue
C	HOH2112
E	PHE4
E	ARG235
E	HOH2275
E	HOH2278
F	GLU249

site_id	DC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ETX A 1552

Chain	Residue
F	ASN20
F	GLU22

site_id	DC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ETX E 1446

Chain	Residue
D	ASN185
D	LYS186
D	PHE188
E	ASP12
E	ASN16
E	LEU17

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ETX A 1553

Chain	Residue
A	ASP345
A	PHE349
A	HOH2001
A	HOH2011

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ETX F 1251

Chain	Residue
B	ASN144
E	PHE233
F	TYR246
F	ASN247
F	HOH2248

site_id	DC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ETX D 1551

Chain	Residue
D	ASP515
D	LEU518
D	VAL519
D	PHE520
D	ASP521
D	PHE522
D	HOH2331

site_id	DC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ETX E 1447

Chain	Residue
A	LYS118
A	ARG119
E	GLY402
E	GLN404
E	MET405
F	VAL52

site_id	DC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ETX B 1445

Chain	Residue
B	GLY402
B	THR403
B	MET405
C	VAL52
D	ARG119

site_id	EC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ETX E 1448

Chain	Residue
A	GLU199
A	PRO507
E	LYS61
E	ALA66

site_id	EC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ETX B 1446

Chain	Residue
B	LYS61
B	ALA66
D	GLU199
D	PRO507

site_id	EC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ETX F 1252

Chain	Residue
F	GLU232
F	ARG236

site_id	EC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ETX C 1250

Chain	Residue
C	GLU232
C	GLN235
C	ARG236

site_id	EC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ETX B 1447

Chain	Residue
B	GLU83
B	ALA86
B	LYS90
B	VAL103
B	HOH2157
B	HOH2169
B	HOH2202
D	ASN169
D	ASP202
D	HOH2234

site_id	EC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ETX A 1554

Chain	Residue
A	ASP356
A	LYS357
E	GLU274
E	GLU278
E	HOH2309

site_id	EC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ETX D 1552

Chain	Residue
B	GLU83
D	VAL124
D	K561
D	HOH2187

site_id	EC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ETX A 1555

Chain	Residue
A	VAL519
A	ASP521
A	GLU528
A	LYS531
A	PHE537
A	GLU538
A	ETX1551
A	HOH2557

site_id	EC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ETX B 1448

Chain	Residue
B	LYS7
B	GLN21
B	ASP249
B	HOH2017

site_id	FC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ETX D 1553

Chain	Residue
B	PRO65
D	TRP205
D	ALA258
D	GLU259
D	VAL260
D	ILE261
D	HOH2305
D	HOH2307
D	HOH2488
D	HOH2489

site_id	FC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ETX E 1449

Chain	Residue
A	HOH2115
E	LYS416
E	SER420
E	GLN421
E	ARG426
E	HOH2418

site_id	FC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ETX E 1450

Chain	Residue
E	ALA258
E	ASP271
E	ARG275
E	HOH2306
E	HOH2312

site_id	FC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ETX E 1451

Chain	Residue
B	HOH2078
B	HOH2219
B	HOH2220
E	SER118
E	ASP122
E	ETX1444
E	HOH2177

site_id	FC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ETX E 1452

Chain	Residue
B	ALA232
B	PHE233
C	TYR246
C	ASN247
C	HOH2273
E	GLN140
E	ASN144

site_id	FC6
Number of Residues	13
Details	Binding site for Ligand MGN A 400 bound to SER A 399

Chain	Residue
A	GLN332
A	TYR333
A	ALA336
A	GLN395
A	PHE396
A	GLY397
A	GLY398
A	SER399
A	ARG401
A	ALA402
A	ALA403
A	VAL404
A	HOH2157

site_id	FC7
Number of Residues	13
Details	Binding site for Ligand MGN D 400 bound to SER D 399

Chain	Residue
D	GLN332
D	TYR333
D	ALA336
D	GLN395
D	PHE396
D	GLY397
D	GLY398
D	SER399
D	ARG401
D	ALA402
D	ALA403
D	VAL404
D	HOH2159

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