Receptor
PDB id Resolution Class Description Source Keywords
1P1M 1.5 Å NON-ENZYME: OTHER STRUCTURE OF THERMOTOGA MARITIMA AMIDOHYDROLASE TM0936 BOUND TO NI AND METHIONINE THERMOTOGA MARITIMA PUTATIVE METAL DEPENDENT HYDROLASE PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: STRUCTURE OF THE HYPOTHETICAL PROTEIN TM0936 FROM THERMOTOGA MARITIMA AT 1.5A BOUND TO NI AND METHIONINE TO BE PUBLISHED 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET A:5001;
Valid;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
NI A:9001;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P1M 1.5 Å NON-ENZYME: OTHER STRUCTURE OF THERMOTOGA MARITIMA AMIDOHYDROLASE TM0936 BOUND TO NI AND METHIONINE THERMOTOGA MARITIMA PUTATIVE METAL DEPENDENT HYDROLASE PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: STRUCTURE OF THE HYPOTHETICAL PROTEIN TM0936 FROM THERMOTOGA MARITIMA AT 1.5A BOUND TO NI AND METHIONINE TO BE PUBLISHED 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1P1M - MET C5 H11 N O2 S CSCC[C@@H]....
2 2PLM - SIB C14 H19 N5 O6 S c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1P1M - MET C5 H11 N O2 S CSCC[C@@H]....
2 2PLM - SIB C14 H19 N5 O6 S c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1P1M - MET C5 H11 N O2 S CSCC[C@@H]....
2 2PLM - SIB C14 H19 N5 O6 S c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MET 1 1
2 MED 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 NVA 0.5 0.758621
7 MF3 0.5 0.647059
8 DAB 0.466667 0.636364
9 HSE 0.466667 0.617647
10 SME 0.457143 0.717949
11 MHO 0.457143 0.717949
12 HCS 0.451613 0.733333
13 API 0.451613 0.606061
14 CDT 0.447368 0.756757
15 2MM 0.444444 0.657143
16 NLE 0.441176 0.766667
17 ONL 0.441176 0.71875
18 UN1 0.428571 0.606061
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 GGL 0.424242 0.625
22 GLU 0.424242 0.625
23 DGL 0.424242 0.625
24 CBH 0.418605 0.685714
25 ORN 0.411765 0.65625
26 AME 0.410256 0.771429
27 FME 0.410256 0.84375
28 LEU 0.40625 0.666667
29 CYS 0.4 0.666667
30 C2N 0.4 0.633333
31 DCY 0.4 0.666667
32 JM6 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P1M; Ligand: MET; Similar sites found: 33
This union binding pocket(no: 1) in the query (biounit: 1p1m.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B9Z CO2 0.0445 0.40447 1.80412
2 4WAS NAP 0.01237 0.40259 2.1978
3 5A8E XTK 0.003353 0.41096 2.22222
4 5IKH 6BW 0.002401 0.42883 2.95567
5 1RL4 BL5 0.02818 0.41373 3.19149
6 1J78 VDY 0.02551 0.40089 3.20197
7 3K3K A8S 0.005152 0.40793 3.31754
8 1T27 PCW 0.01122 0.40939 3.32103
9 2ADA HPR 0.0001459 0.4475 3.69318
10 4IGH ORO 0.02139 0.41139 4.03226
11 4IGH 1EA 0.02139 0.41139 4.03226
12 4IGH FMN 0.02139 0.41139 4.03226
13 3V66 D3A 0.006378 0.41834 4.41176
14 1AUA BOG 0.02576 0.40478 5.40541
15 3LGG CFE 0.0008088 0.4064 6.40394
16 1LN1 DLP 0.0008696 0.44779 6.54206
17 1O5R FR9 0.00116 0.44104 6.74157
18 3TDC 0EU 0.0009988 0.5322 7.38916
19 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.007473 0.42332 7.61905
20 5AZC PGT 0.03021 0.41076 8
21 1XM4 PIL 0.009338 0.41443 8.0402
22 1XMU ROF 0.009393 0.41041 8.0402
23 2IYG FMN 0.01737 0.40147 8.06452
24 3G4G D71 0.002062 0.40453 10.5911
25 3TL1 JRO 0.0106 0.42483 10.6918
26 2ZCQ B65 0.01491 0.40478 15.0171
27 4F4S EFO 0.01659 0.41473 17.1053
28 3EWC MCF 0.000005117 0.52968 17.5202
29 4B1V LAB 0.004188 0.43567 18.75
30 3G08 FEE 0.01083 0.41841 24.2424
31 3RUG DB6 0.01638 0.40551 24.2424
32 4AQL TXC 0.000003136 0.50487 31.7734
33 4RZB NFQ 0.0000003198 0.49681 38.67
Pocket No.: 2; Query (leader) PDB : 1P1M; Ligand: MET; Similar sites found: 251
This union binding pocket(no: 2) in the query (biounit: 1p1m.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WSJ MK1 0.001751 0.4242 1.72414
2 1QPB TPP 0.0006751 0.4142 1.72414
3 3PLN U5P 0.009334 0.40769 1.72414
4 1E8G FAD 0.02927 0.40163 1.72414
5 3K37 BCZ 0.02146 0.40033 1.76322
6 2XK9 XK9 0.0001258 0.44916 1.86335
7 4KQI RBZ 0.001906 0.40531 1.96629
8 4KQI NIO 0.001906 0.40531 1.96629
9 3FC4 EDO 0.002578 0.42242 1.97044
10 2XCG XCG 0.001174 0.41091 1.97044
11 2IMP NAI 0.01572 0.40656 1.97044
12 1H6C SIN 0.004829 0.40098 1.97044
13 1SB8 UD2 0.00253 0.4219 1.98864
14 4DEC 3PG 0.0005257 0.41774 2.03488
15 4DEC UDP 0.0005257 0.41774 2.03488
16 1D6H COA 0.0006627 0.43526 2.06718
17 1RZM E4P 0.01718 0.41167 2.07101
18 1RZM PEP 0.008699 0.40898 2.07101
19 1VDC FAD 0.007714 0.40118 2.1021
20 2ORV 4TA 0.0002136 0.42686 2.13675
21 1SJD NPG 0.0001663 0.41531 2.17391
22 2PT9 2MH 0.0005477 0.42753 2.18069
23 4KQL 1SG 0.005485 0.41556 2.21675
24 1Q3Q ANP 0.009947 0.40326 2.21675
25 1O0S NAI 0.001194 0.40109 2.21675
26 3MAG 3MA 0.0421 0.41085 2.28013
27 1O9U ADZ 0.002494 0.46694 2.28571
28 2WA4 069 0.001601 0.42388 2.29226
29 3UXL CFI 0.002768 0.41143 2.34987
30 2F01 BTQ 0.01339 0.40305 2.3622
31 2Q1S NAI 0.001202 0.42616 2.38727
32 2YB9 HA0 0.00128 0.40967 2.46305
33 4M5P FMN 0.0004983 0.40769 2.46305
34 1UMP SQA 0.0009671 0.40748 2.46305
35 4KCF AKM 0.0007601 0.40735 2.46305
36 1LC8 33P 0.000782 0.41212 2.47253
37 2I7C AAT 0.0012 0.4147 2.4735
38 3IPQ 965 0.000061 0.40636 2.4735
39 3SFI 3SF 0.0001289 0.45673 2.54237
40 2RDT 2RD 0.01024 0.40802 2.58398
41 1IG3 VIB 0.001066 0.41229 2.6616
42 3D2Y AH0 ALA FGA LYS 0.00008671 0.42323 2.68199
43 3F3E LEU 0.0008654 0.42453 2.70936
44 1LVL FAD 0.001733 0.42056 2.70936
45 2AQJ FAD 0.004898 0.41599 2.70936
46 2AQJ TRP 0.007267 0.40898 2.70936
47 3TN7 NJP 0.0009402 0.41554 2.72374
48 2Q37 3AL 0.002538 0.43743 2.76243
49 4E28 9MZ 0.0196 0.40358 2.76923
50 1IUP ALQ 0.001486 0.40752 2.83688
51 2RH4 EMO 0.00055 0.44017 2.88809
52 3E8N ATP 0.002324 0.41509 2.93255
53 3E8N VRA 0.002324 0.41509 2.93255
54 1YBH FAD 0.0002973 0.44293 2.95567
55 2IXB NAD 0.0004509 0.42618 2.95567
56 1TIW FAD 0.0009834 0.42379 2.95567
57 1TIW TFB 0.0009834 0.42379 2.95567
58 4GYW UDP 0.001477 0.41035 2.95567
59 4FWE FAD 0.004318 0.4066 2.95567
60 4AT0 FAD 0.006094 0.40484 2.95567
61 4IVG ANP 0.007238 0.4038 2.95567
62 3V1U NAD 0.001412 0.40215 2.95567
63 2J07 FAD 0.001467 0.42785 3.09524
64 2J07 HDF 0.001467 0.42785 3.09524
65 1PEA ACM 0.02928 0.4063 3.11688
66 1RYI GOA 0.001002 0.42893 3.14136
67 1RYI FAD 0.004621 0.40365 3.14136
68 2RHW C0E 0.005726 0.41487 3.18021
69 3DER ALA LYS 0.000556 0.40979 3.18841
70 2XVE FAD 0.003658 0.42208 3.20197
71 2V6O FAD 0.007679 0.41629 3.20197
72 1H82 FAD 0.007379 0.40803 3.20197
73 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.003664 0.40617 3.20197
74 1Z45 NAD 0.001634 0.40615 3.20197
75 2EWM NAD 0.00104 0.41408 3.21285
76 2F2U M77 0.002296 0.42271 3.23383
77 1BDB NAD 0.003207 0.42945 3.2491
78 2QQ0 ADP 0.001183 0.41222 3.26087
79 2QQ0 TMP 0.001183 0.41222 3.26087
80 2QQ0 ANP 0.002155 0.40352 3.26087
81 2Z9V PXM 0.0007906 0.45291 3.31633
82 1I52 CTP 0.001323 0.40918 3.38983
83 1T26 GBD 0.002448 0.44392 3.41615
84 1T26 NAI 0.002448 0.44392 3.41615
85 2WQP WQP 0.001818 0.40018 3.4384
86 1Q0H NDP 0.0004548 0.44509 3.44828
87 4W6Z 8ID 0.001328 0.41696 3.45821
88 1R6D DAU 0.003222 0.4181 3.56083
89 1R6D NAD 0.004032 0.41537 3.56083
90 3OZG SSI 0.0001654 0.4059 3.6
91 4G87 UD1 0.001745 0.42287 3.69458
92 4IS0 1R4 0.001112 0.40024 3.73444
93 1R37 NAD 0.003209 0.40152 3.7464
94 2PP3 LGT 0.002015 0.4154 3.76884
95 2DTX BMA 0.0003212 0.44176 3.78788
96 1GSA ADP 0.0009677 0.43339 3.79747
97 1GSA GSH 0.001962 0.41665 3.79747
98 1M5B BN1 0.0006173 0.44747 3.80228
99 2NLI LAC 0.007649 0.40885 3.80435
100 2NLI FMN 0.007443 0.40789 3.80435
101 3PVT 3HC 0.002535 0.4085 3.861
102 4OYA 1VE 0.001876 0.4504 3.94089
103 3I28 34N 0.002035 0.42095 3.94089
104 2YC5 6BC 0.001865 0.41073 3.94737
105 3W54 RNB 0.00006853 0.41175 3.95137
106 3IIS PID 0.005564 0.41982 3.97351
107 1DLJ UGA 0.006155 0.40633 3.9801
108 1DLJ NAI 0.008673 0.40097 3.9801
109 4G1V FAD 0.03021 0.4015 4.01003
110 3MPI GRA 0.008518 0.40356 4.03023
111 2P8B NSK 0.01007 0.42419 4.06504
112 2O4J VD4 0.00005285 0.41981 4.10959
113 1C0I BE2 0.006993 0.401 4.13223
114 1C0I FAD 0.006993 0.401 4.13223
115 2GYI HYA 0.003657 0.42345 4.14508
116 2R7K AMZ 0.02182 0.4071 4.15512
117 2R7K ACP 0.02182 0.4071 4.15512
118 2C31 TZD 0.00397 0.42656 4.18719
119 2C31 ADP 0.003826 0.42656 4.18719
120 2RGH FAD 0.001543 0.41924 4.18719
121 1Y42 TYR 0.000415 0.4647 4.33673
122 1G8S MET 0.003078 0.43999 4.34783
123 1R18 SAH 0.0004176 0.41373 4.40529
124 1N6B DMZ 0.003691 0.40289 4.4335
125 1EDO NAP 0.005796 0.41854 4.5082
126 1V35 NAI 0.001556 0.42017 4.55927
127 4LWM MHO 0.04128 0.43612 4.60829
128 2BLE 5GP 0.01171 0.40202 4.63215
129 1N1G BCP 0.0001012 0.45378 4.64481
130 1NN5 ANP 0.0004719 0.42404 4.65116
131 1NN5 2DT 0.0004719 0.42404 4.65116
132 1K97 ASP 0.008616 0.41764 4.6798
133 1K97 CIR 0.008616 0.41764 4.6798
134 3DGB MUC 0.003247 0.41208 4.71204
135 4IAE 1DX 0.001671 0.42626 4.7619
136 1ZK4 NAP 0.0184 0.40393 4.78088
137 1ZK4 AC0 0.0184 0.40393 4.78088
138 1RHC F42 ACN 0.001188 0.41074 4.84848
139 1IYE PGU 0.001523 0.40855 4.85437
140 1HDR NAD 0.007758 0.40191 4.91803
141 3NYQ AMP 0.003161 0.40052 4.92611
142 4MP8 NAD 0.002811 0.40695 5.01475
143 4MP8 MLI 0.002811 0.40695 5.01475
144 1LTH NAD 0.006034 0.41265 5.01567
145 1JQI FAD 0.002378 0.40831 5.15464
146 1UJ2 ADP 0.001428 0.402 5.15873
147 1SS4 GSH 0.01449 0.44323 5.22876
148 1SS4 CIT 0.03289 0.42615 5.22876
149 4ORR PE3 0.0003948 0.40003 5.26316
150 3SHR CMP 0.002401 0.42194 5.35117
151 3FC2 IBI 0.001019 0.41295 5.37313
152 3BW2 FMN 0.0006386 0.41968 5.41872
153 3TO7 COA 0.004634 0.40055 5.43478
154 1UDB UFG 0.006677 0.40586 5.6213
155 1UDB NAD 0.006677 0.40586 5.6213
156 2J7T 274 0.0006148 0.41871 5.62914
157 2AMV BIN 0.002573 0.41996 5.66502
158 3OND ADN 0.003159 0.41505 5.66502
159 3OND NAD 0.003159 0.41505 5.66502
160 3M31 FAD 0.0002073 0.42537 5.6701
161 3ZPG 5GP 0.01622 0.4256 5.75916
162 1OAA OAA 0.0001614 0.45683 5.79151
163 2HV8 GTP 0.001146 0.4034 5.81395
164 2GJ3 FAD 0.002309 0.40185 5.83333
165 1NZY BCA 0.0009892 0.41038 5.94796
166 3PFG TLO 0.00281 0.41018 6.08365
167 3PFG SAM 0.00281 0.41018 6.08365
168 4QN7 G39 0.00172 0.41193 6.15385
169 1SJW NGV 0.002962 0.40495 6.25
170 3H86 AP5 0.009877 0.40085 6.25
171 2NX1 RP5 0.0009256 0.41132 6.36704
172 2NX1 PEP 0.001013 0.41004 6.36704
173 3WE0 FAD 0.002733 0.4136 6.40394
174 4NE2 SH2 0.001226 0.41693 6.58683
175 4NE2 ADP 0.002312 0.40634 6.58683
176 2QTR NXX 0.0003988 0.42796 6.87831
177 3GEG NAD 0.001253 0.40701 6.88259
178 1EP2 ORO 0.001978 0.40864 6.89655
179 4CS4 ANP 0.00123 0.41929 6.93431
180 2D0V PQQ 0.0006057 0.40118 6.94444
181 1BGQ RDC 0.0003098 0.42522 7.11111
182 4DEM YS4 0.0033 0.43366 7.2
183 1YAG ATP 0.0003265 0.41907 7.2
184 3WBF NAP 0.0004756 0.42239 7.21311
185 3WBF API 0.001166 0.41512 7.21311
186 4HZX G39 0.002766 0.40937 7.2165
187 3GE7 AFQ 0.001269 0.41388 7.25389
188 3KO8 NAD 0.0003486 0.43138 7.37179
189 2HGZ PBF 0.0008657 0.40732 7.51634
190 1EXB NDP 0.01732 0.40174 7.53012
191 3CKZ ZMR 0.005577 0.40079 7.53247
192 4O1M NAD 0.002028 0.40303 7.61905
193 4COQ SAN 0.0005799 0.4727 7.69231
194 3AHC TPP 0.002234 0.40164 7.88177
195 2G86 UMP 0.002478 0.41969 7.91139
196 4KS1 2H8 0.003955 0.40794 7.94872
197 1OYB HBA 0.0009715 0.40905 8
198 2YVF NAD 0.009643 0.40647 8.12808
199 2YVF FAD 0.01066 0.40419 8.12808
200 4HA6 FAD 0.006295 0.40082 8.12808
201 1V6A TRE 0.008501 0.41452 8.13253
202 1KYV RBF 0.0002613 0.40376 8.1761
203 2Q2V NAD 0.0003242 0.43386 8.23529
204 1YRX FMN 0.002101 0.41473 8.26446
205 1AL8 DHP 0.01394 0.40178 8.35655
206 1HV9 COA 0.005183 0.40736 8.62069
207 2BII MTV 0.0009693 0.40398 8.62069
208 1WVG CXY 0.000234 0.4217 8.6351
209 1XIU REA 0.0002303 0.40174 8.69565
210 4NAT ADP 0.02246 0.40158 8.75
211 1R27 MGD 0.003381 0.40308 9.1133
212 4CKU P2F 0.003249 0.41461 9.11854
213 4B4D FAD 0.0004705 0.4086 9.16031
214 1G0N NDP 0.001265 0.42002 9.18728
215 1G0N PHH 0.001929 0.41691 9.18728
216 3ZV6 4HB 0.0001803 0.45401 9.25267
217 3ZV6 NAD 0.000167 0.45401 9.25267
218 3P9C SAH 0.000157 0.44299 9.34066
219 2NXW TPP 0.002573 0.40227 9.35961
220 3RFV NAI 0.001348 0.40597 9.3633
221 2XD9 XD9 0.01803 0.42187 9.58084
222 2P2V CSF 0.0009412 0.43566 9.72222
223 3WO0 ADP 0.003436 0.40284 9.85222
224 3WO0 ALA 0.003436 0.40284 9.85222
225 4QN6 LNV 0.003439 0.40394 9.97442
226 1TU3 GNP 0.0001796 0.43114 10.1266
227 4RJK TDL 0.0009412 0.41409 10.3448
228 4RJK TPP 0.0007822 0.41372 10.3448
229 1D09 PAL 0.02744 0.40677 11.1111
230 1E7S NAP 0.002212 0.40446 11.215
231 2C7G ODP 0.004495 0.41442 11.5764
232 1NNU TCT 0.01107 0.41344 11.6667
233 1NNU NAD 0.01462 0.40879 11.6667
234 1C1L GAL BGC 0.02586 0.40327 11.6788
235 2AE2 NAP 0.001474 0.41993 11.9231
236 2AE2 PTO 0.001474 0.41993 11.9231
237 2QLX RM4 0.009795 0.42316 12.037
238 1WDA BAG 0.003395 0.42095 12.069
239 2VBQ BSJ 0.002348 0.40612 12.1212
240 4W97 UCA 0.0007239 0.40982 12.5
241 1QY1 PRZ 0.0003886 0.41166 12.6437
242 3S9K CIT 0.00827 0.45962 12.7119
243 1Z44 NPO 0.01146 0.45001 13.3136
244 1Z44 FMN 0.001619 0.41894 13.3136
245 2GDZ NAD 0.0006269 0.41995 13.8577
246 1HFS L04 0.002106 0.40518 14.375
247 2R14 TXD 0.001799 0.40614 16.7109
248 2R14 FMN 0.001503 0.40287 16.7109
249 1S8F GDP 0.001085 0.40749 18.6441
250 1LGT BP3 0.006512 0.43647 25.9259
251 3F81 STT 0.01875 0.42239 28.4153
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