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Receptor
PDB id Resolution Class Description Source Keywords
2X06 2.5 Å EC: 1.1.1.272 SULFOLACTATE DEHYDROGENASE FROM METHANOCALDOCOCCUS JANNASCHI METHANOCALDOCOCCUS JANNASCHII OXIDOREDUCTASE HYPERTHERMOSTABLE COENZYME M METHANOGENS M BIOSYNTHESIS PRO-S HYDROGEN TRANSFER NAD-BINDING WITHOUROSSMANN FOLD
Ref.: METHANOARCHAEAL SULFOLACTATE DEHYDROGENASE: PROTOTY NEW FAMILY OF NADH-DEPENDENT ENZYMES. EMBO J. V. 23 1234 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:4001;
B:4002;
C:4003;
D:4004;
E:4005;
F:4006;
G:4007;
H:4008;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X06 2.5 Å EC: 1.1.1.272 SULFOLACTATE DEHYDROGENASE FROM METHANOCALDOCOCCUS JANNASCHI METHANOCALDOCOCCUS JANNASCHII OXIDOREDUCTASE HYPERTHERMOSTABLE COENZYME M METHANOGENS M BIOSYNTHESIS PRO-S HYDROGEN TRANSFER NAD-BINDING WITHOUROSSMANN FOLD
Ref.: METHANOARCHAEAL SULFOLACTATE DEHYDROGENASE: PROTOTY NEW FAMILY OF NADH-DEPENDENT ENZYMES. EMBO J. V. 23 1234 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2X06 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2X06 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2X06 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X06; Ligand: NAD; Similar sites found with APoc: 28
This union binding pocket(no: 1) in the query (biounit: 2x06.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 2BOS GLA GAL GLC None
3 1GPM AMP 2.03488
4 6F6D AKG 2.32558
5 5LY2 OGA 2.32558
6 5MUY MGT 2.43902
7 5OF1 SAL 2.85714
8 5C9P FUC 2.90698
9 2Z48 NGA 3.19767
10 2Z49 AMG 3.19767
11 2UVO NAG 3.50877
12 2UVO NDG 3.50877
13 4YKI GLY 3.51562
14 5YLF BGC 3.59281
15 4URF 1PS 3.62903
16 5ZMY TAR 4.14013
17 2HZQ STR 5.17241
18 6F5W KG1 5.81395
19 5OKT 9XK 7.64331
20 4ZDM GLY 8.04598
21 3FXU TSU 11.8033
22 3LQV ADE 17.9487
23 2CWH NDP 42.8571
24 2CWH PYC 42.8571
25 1S20 NAD 44.7059
26 1Z2I NAD 46.5116
27 4FJU GLV 48.5465
28 4FJU NAI 48.5465
Pocket No.: 2; Query (leader) PDB : 2X06; Ligand: NAD; Similar sites found with APoc: 8
This union binding pocket(no: 2) in the query (biounit: 2x06.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1TE2 PGA 1.76991
2 1GPJ CIT 2.03488
3 4OUJ LBT 2.28013
4 2Q8E OGA 2.32558
5 2YBP 2HG 2.32558
6 1C4Q GLA GAL BGC 4.34783
7 4KBA 1QM 7.25076
8 6A56 LAT 15.8537
Pocket No.: 3; Query (leader) PDB : 2X06; Ligand: NAD; Similar sites found with APoc: 15
This union binding pocket(no: 3) in the query (biounit: 2x06.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3AVR OGA 2.32558
2 4LUS TCE 3.19767
3 3CYQ AMU 3.62319
4 3K1X DBX 3.84615
5 3I6B KDO 3.88889
6 3ZUY TCH 4.33437
7 4FK7 P34 4.80349
8 4MPO AMP 5.88235
9 4GNC ASO 6.68896
10 3ZVS MLI 6.875
11 3OPT AKG 6.97674
12 3QPB URA 7.44681
13 5HV0 AKG 8.75576
14 4GQP B40 10.0402
15 1O9W NAG 15.2542
Pocket No.: 4; Query (leader) PDB : 2X06; Ligand: NAD; Similar sites found with APoc: 6
This union binding pocket(no: 4) in the query (biounit: 2x06.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3MBC NAP 3.19767
2 2IO8 CYS 3.19767
3 5X30 HCS 6.68605
4 3WKX FUB 10.1744
5 5JNW 6LJ 12.5786
6 1NU4 MLA 21.6495
Pocket No.: 5; Query (leader) PDB : 2X06; Ligand: NAD; Similar sites found with APoc: 50
This union binding pocket(no: 5) in the query (biounit: 2x06.bio4) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5NM7 GLY 1.50376
2 2J5V PCA 2.03488
3 6GK6 MYR 2.03488
4 3LRE ADP 2.03488
5 2CXG GLC GLC 2.03488
6 2XT3 ADP 2.03488
7 4Z7X 3CX 2.10084
8 3A4M ADP 2.30769
9 1GOJ ADP 2.32558
10 2VVG ADP 2.32558
11 5W75 SUC 2.61628
12 3NOJ PYR 2.94118
13 4PYA 2X3 3.10559
14 1G6H ADP 3.11284
15 4NZ6 DGL 3.19489
16 1GXU 2HP 3.2967
17 4Y4V DAL 3.53982
18 5A96 GTP 3.61446
19 5GVR LMR 4.2735
20 3SHR CMP 4.34783
21 6C0B MLI 4.48718
22 2VWT PYR 4.49438
23 1B0U ATP 4.58015
24 1P7T PYR 4.65116
25 4PPF FLC 4.65116
26 3AB4 THR 5.05618
27 2DTJ THR 5.05618
28 3CV2 OXL 5.23256
29 2W5P CL8 5.36913
30 1VBO MAN MAN MAN 5.36913
31 4GO7 THR 5.5
32 3G5N PB2 5.52326
33 1XPJ TLA 5.55556
34 5H4S RAM 5.6338
35 4U00 ADP 5.7377
36 5F90 GLA GAL 5.76923
37 2AWN ADP 5.81395
38 4L4J NAG NAG BMA MAN NAG 5.88235
39 4YJ1 ADP 6.10465
40 3LN9 FLC 6.47482
41 2WDQ TEO 6.95652
42 1Q19 SSC 6.97674
43 5E5U MLI 7.03518
44 2DT9 THR 7.78443
45 1RRC ADP 7.97342
46 5URY PAM 8.21918
47 2BVE PH5 8.40336
48 3WBD SIA SIA SIA SIA SIA SIA SIA 9.7561
49 5L3S G 11.1486
50 2H88 TEO 15.534
Pocket No.: 6; Query (leader) PDB : 2X06; Ligand: NAD; Similar sites found with APoc: 14
This union binding pocket(no: 6) in the query (biounit: 2x06.bio4) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5IFK HPA 0.961538
2 5FWE OGA 2.32558
3 2OS2 OGA 2.32558
4 2P5B OGA 2.32558
5 3ITJ CIT 2.36686
6 2Z48 A2G 3.19767
7 1A99 PUT 3.77907
8 6FTB M0E 3.80952
9 3JUC PCA 3.92157
10 1D8C GLV 4.65116
11 2UYN 2KT 6.20155
12 2GAG FOA 9.88372
13 4BI7 PGA 10.1167
14 4YMZ 13P 21.1155
Pocket No.: 7; Query (leader) PDB : 2X06; Ligand: NAD; Similar sites found with APoc: 7
This union binding pocket(no: 7) in the query (biounit: 2x06.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2BO4 FLC 1.74419
2 5NNS AKR 2.66667
3 5ZYN SIN 4.65116
4 4R78 AMP 4.85437
5 5N53 8NB 8.20513
6 2VOH CIT 8.9172
7 1ONI BEZ 17.3913
Pocket No.: 8; Query (leader) PDB : 2X06; Ligand: NAD; Similar sites found with APoc: 6
This union binding pocket(no: 8) in the query (biounit: 2x06.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5EQ8 HSO 2.52708
2 2D24 XYS XYS 3.48837
3 2JFV FLC 3.78007
4 1H16 DTL 6.97674
5 4CCK OGA 6.97674
6 4CCN OGA 8.57143
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