Receptor
PDB id Resolution Class Description Source Keywords
1NML 2.2 Å EC: 1.11.1.5 DI-HAEMIC CYTOCHROME C PEROXIDASE FROM PSEUDOMONAS NAUTICA 6 IN (PH 4.0) MARINOBACTER HYDROCARBONOCLASTICUS OXIDOREDUCTASE PEROXIDASE DI-HAEM ELECTRON TRANSPORT
Ref.: STRUCTURAL BASIS FOR THE MECHANISM OF CA(2+) ACTIVA THE DI-HEME CYTOCHROME C PEROXIDASE FROM PSEUDOMONA 617 STRUCTURE V. 12 961 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:501;
A:502;
A:503;
A:504;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
HEM A:401;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NML 2.2 Å EC: 1.11.1.5 DI-HAEMIC CYTOCHROME C PEROXIDASE FROM PSEUDOMONAS NAUTICA 6 IN (PH 4.0) MARINOBACTER HYDROCARBONOCLASTICUS OXIDOREDUCTASE PEROXIDASE DI-HAEM ELECTRON TRANSPORT
Ref.: STRUCTURAL BASIS FOR THE MECHANISM OF CA(2+) ACTIVA THE DI-HEME CYTOCHROME C PEROXIDASE FROM PSEUDOMONA 617 STRUCTURE V. 12 961 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1NML - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1NML - CIT C6 H8 O7 C(C(=O)O)C....
2 3HQ9 - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1NML - CIT C6 H8 O7 C(C(=O)O)C....
2 3HQ9 - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NML; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1nml.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1NML; Ligand: CIT; Similar sites found: 26
This union binding pocket(no: 2) in the query (biounit: 1nml.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C5H 4YB 0.02738 0.40771 2.14724
2 2PI8 NAG NAG NAG NAG NAG NAG 0.03458 0.40958 2.45399
3 1ZBQ NAD 0.03369 0.41019 2.76074
4 3WV1 WHH 0.04073 0.41431 2.92398
5 2C6Q IMP 0.02417 0.40919 3.06748
6 2B7N NTM 0.003909 0.41556 3.2967
7 3LZW FAD 0.02844 0.42029 3.37423
8 2WET FAD 0.02946 0.42215 3.68098
9 3AB1 FAD 0.04737 0.40979 3.68098
10 3FJO FMN 0.02033 0.40689 3.68098
11 4H2D FMN 0.008545 0.42438 4.24242
12 1Q0S SAH 0.01936 0.41425 4.2471
13 4POO SAM 0.02462 0.40877 4.5
14 4KRI SAH 0.02397 0.40485 4.90798
15 5UAO FAD 0.02746 0.42296 5.21472
16 1B8U OAA 0.03452 0.40962 5.21472
17 2DPM SAM 0.01443 0.41789 5.6338
18 3SLS 77D 0.01863 0.40526 6.90789
19 3A4T SFG 0.009921 0.42632 8.39416
20 4BLW SAH 0.03005 0.40558 9.34256
21 3LXN MI1 0.0196 0.40771 9.43396
22 2QRD ATP 0.01514 0.40984 10.219
23 5AYV KPL 0.04351 0.40724 11.0032
24 4WZV E40 0.02956 0.40728 11.25
25 2XWL CTP 0.02311 0.40048 12.1076
26 1ZVX FIN 0.04855 0.40362 25.1534
Pocket No.: 3; Query (leader) PDB : 1NML; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1nml.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1NML; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1nml.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1NML; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1nml.bio2) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1NML; Ligand: CIT; Similar sites found: 566
This union binding pocket(no: 6) in the query (biounit: 1nml.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TUV VK3 0.003812 0.43516 None
2 1PTR PRB 0.001173 0.40086 None
3 1GAD NAD 0.008923 0.41461 0.613497
4 2CSN CKI 0.005869 0.42098 0.673401
5 1TRD PGH 0.002203 0.41933 1.2
6 1I2B NAD 0.001116 0.48286 1.22699
7 1I2B USQ 0.001116 0.48286 1.22699
8 1I2B UPG 0.001116 0.48286 1.22699
9 3AHC TPP 0.0005959 0.46992 1.22699
10 2PT9 2MH 0.0003848 0.48396 1.24611
11 2PT9 S4M 0.00024 0.48043 1.24611
12 1UXG NAD 0.0003908 0.48877 1.2945
13 1UXG FUM 0.0003908 0.48877 1.2945
14 3MBG FAD 0.004874 0.42444 1.43885
15 4HA6 FAD 0.002571 0.45716 1.53374
16 1Q3Q ANP 0.01095 0.43778 1.53374
17 1YHM AHD 0.0009286 0.43213 1.53374
18 2C31 TZD 0.02145 0.43173 1.53374
19 9LDB NAD 0.004871 0.43142 1.53374
20 2C31 ADP 0.02393 0.42887 1.53374
21 2NLI FMN 0.01485 0.42718 1.53374
22 2NLI LAC 0.01485 0.42718 1.53374
23 2IZ1 ATR 0.004463 0.41048 1.53374
24 3IHB GLU 0.0007749 0.4011 1.53374
25 2EJU SAH 0.00008802 0.40046 1.53374
26 1E7S NAP 0.00141 0.45637 1.55763
27 3MB5 SAM 0.006584 0.44364 1.56863
28 3U5S FAD 0.001625 0.43786 1.5873
29 2QQF A1R 0.004755 0.4249 1.62338
30 1I9G SAM 0.006008 0.44211 1.78571
31 3PY5 AMP 0.00445 0.41165 1.82482
32 4KQI RBZ 0.0007772 0.46634 1.84049
33 4KQI NIO 0.0007772 0.46634 1.84049
34 2H6T IVA VAL VAL STA ALA STA 0.00024 0.46587 1.84049
35 4M51 BEZ 0.0006088 0.46347 1.84049
36 4NTD FAD 0.002635 0.45153 1.84049
37 1YBH FAD 0.003217 0.44871 1.84049
38 2WQP WQP 0.001621 0.44652 1.84049
39 1PEA ACM 0.001844 0.44155 1.84049
40 1YBH P22 0.0007586 0.43516 1.84049
41 1UKW FAD 0.007842 0.42918 1.84049
42 3B9Z CO2 0.001711 0.42799 1.84049
43 1KBJ FMN 0.00608 0.42032 1.84049
44 4OE4 NAD 0.008548 0.42007 1.84049
45 2CKM AA7 0.02717 0.40851 1.84049
46 1V35 NAI 0.02838 0.40764 1.84049
47 1WDA BAG 0.002189 0.4028 1.84049
48 4CMF PXG 0.02685 0.41515 1.86335
49 3IL6 B83 0.00124 0.44082 1.86916
50 3P0K FAD 0.009491 0.40738 1.8797
51 3VKX T3 0.00318 0.42472 1.91571
52 1IYE PGU 0.001284 0.4568 1.94175
53 2P69 PLP 0.002838 0.41249 1.96078
54 3WCS MAN NAG 0.0005065 0.4359 1.9685
55 3WCS MAN NAG GAL 0.005426 0.40113 1.9685
56 1UF5 CDT 0.001453 0.40146 1.9802
57 1LYX PGA 0.0001437 0.41229 2.01613
58 4DVE BTN 0.002816 0.41248 2.0202
59 1UZN NAP 0.001934 0.42642 2.02429
60 1HDR NAD 0.006964 0.4417 2.04918
61 3DCM SAM 0.0009915 0.44486 2.08333
62 1AX2 NDG GAL 0.001379 0.41892 2.09205
63 4AF5 CIT 0.001143 0.43535 2.10526
64 1JN2 SFP 0.03035 0.42614 2.1097
65 2F5T MAL 0.001368 0.43698 2.14592
66 1KOL NAD 0.002105 0.45365 2.14724
67 1TIW FAD 0.003592 0.44548 2.14724
68 1TIW TFB 0.003592 0.44548 2.14724
69 3JDW ORN 0.0006927 0.44461 2.14724
70 1XMV ADP 0.00808 0.44029 2.14724
71 2Q3M MLA 0.003011 0.44004 2.14724
72 4N02 FNR 0.009731 0.43729 2.14724
73 3TXO 07U 0.002314 0.42093 2.14724
74 3GWT 066 0.0106 0.41658 2.14724
75 2GWD GLU 0.0009313 0.41598 2.14724
76 4B7J G39 0.01307 0.41492 2.14724
77 3CXO 3LR 0.0108 0.41371 2.14724
78 1P72 THM 0.001911 0.4134 2.14724
79 1P72 ADP 0.01281 0.41297 2.14724
80 3CXO 1N5 0.01967 0.40475 2.14724
81 3MD0 GDP 0.002462 0.4005 2.14724
82 1YOE RIB 0.003927 0.40405 2.17391
83 3C1O NAP 0.003875 0.42715 2.18069
84 1PFK ADP 0.0007604 0.44296 2.1875
85 1PFK FBP 0.003815 0.40723 2.1875
86 1LTH NAD 0.01067 0.43542 2.19436
87 1QRD FAD 0.01333 0.4027 2.1978
88 2WE5 ADP 0.0009164 0.43721 2.25806
89 1V1A KDG 0.005102 0.41614 2.26537
90 1V1A ADP 0.01711 0.40498 2.26537
91 2DTX BMA 0.00632 0.43546 2.27273
92 3WBF NAP 0.001793 0.44764 2.29508
93 3WBF API 0.00362 0.43961 2.29508
94 4IOK XPO 0.002644 0.43256 2.32558
95 4IOK ADP 0.003421 0.43256 2.32558
96 3IOI 1GW 0.00726 0.42504 2.34899
97 1B74 DGN 0.001287 0.44866 2.3622
98 1QDS PGA 0.001013 0.40617 2.39044
99 3GEG NAD 0.001179 0.45404 2.42915
100 4JCA CIT 0.0005305 0.4868 2.45399
101 4KCF AKM 0.0007557 0.4556 2.45399
102 4AMV F6R 0.000885 0.44027 2.45399
103 2QS8 MET 0.003698 0.43398 2.45399
104 4RJK PYR 0.003059 0.43154 2.45399
105 3TKA CTN 0.01974 0.42681 2.45399
106 1CL2 PPG 0.003542 0.42183 2.45399
107 4KCT PYR 0.0008144 0.41988 2.45399
108 4KCF FMN 0.004022 0.41344 2.45399
109 4KCT FDP 0.0005129 0.41073 2.45399
110 4TSK NDP 0.04586 0.40819 2.45399
111 3GTD MLI 0.003913 0.40684 2.45399
112 2BNE U5P 0.0006979 0.47184 2.48963
113 4EKV BTN 0.006177 0.42934 2.51572
114 4HZO COA 0.002769 0.40711 2.51572
115 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002652 0.43076 2.55319
116 2V9M CIT 0.002741 0.41295 2.55474
117 2F7C CCU 0.002819 0.40137 2.57511
118 4P3H 25G 0.02098 0.41624 2.59067
119 4B9E FAH 0.003852 0.41976 2.65781
120 1P9P SAH 0.001578 0.44027 2.68199
121 2X61 NGA GAL SIA 0.01079 0.43808 2.71318
122 2X61 CH 0.02837 0.40586 2.71318
123 4INB 1F6 0.001696 0.43515 2.73973
124 2JFV FLC 0.001094 0.43615 2.74914
125 3O03 NAP 0.007556 0.41772 2.74914
126 3O03 GCO 0.004416 0.40955 2.74914
127 3B1F NAD 0.003391 0.42626 2.75862
128 2BLE 5GP 0.001792 0.47633 2.76074
129 3DAG FEG 0.002707 0.43539 2.76074
130 1VDC FAD 0.009594 0.43443 2.76074
131 5T0A A3P 0.001016 0.43148 2.76074
132 4WVH ASP HIS ASP ALA HIS ALA 0.0003902 0.42954 2.76074
133 2X0K PPV 0.0006268 0.42848 2.76074
134 4A6D SAM 0.003787 0.42061 2.76074
135 1C7R PA5 0.002062 0.41787 2.76074
136 3NNF AKG 0.003721 0.4138 2.76074
137 2XZ3 MAL 0.0108 0.41371 2.76074
138 4M2K PLP 0.002378 0.41265 2.76074
139 1MG1 MAL 0.01056 0.40542 2.76074
140 2PTZ PAH 0.007079 0.40341 2.76074
141 4CIB 7UZ 0.00248 0.40245 2.76074
142 2Q37 3AL 0.001522 0.42344 2.76243
143 1J5P NAD 0.001029 0.45659 2.7668
144 2XK9 XK9 0.002632 0.44695 2.79503
145 1R0X ATP 0.01883 0.40787 2.7972
146 4O1M NAD 0.00241 0.44346 2.85714
147 1NZY BCA 0.000384 0.47509 2.97398
148 3UIE ANP 0.003024 0.41125 3
149 3UIE ADX 0.006552 0.4026 3
150 3SHR CMP 0.001092 0.40623 3.01003
151 2OZE AGS 0.0006164 0.4513 3.02013
152 2HW1 ANP 0.003571 0.42353 3.02013
153 2HW1 FRU 0.001451 0.41179 3.02013
154 3V1U NAD 0.00958 0.41184 3.0303
155 1SBZ FMN 0.008055 0.42305 3.04569
156 1XX4 BAM 0.008441 0.4187 3.06513
157 4USQ FAD 0.001104 0.46368 3.06748
158 1O9U ADZ 0.001815 0.45051 3.06748
159 2Q8H TF4 0.002437 0.44441 3.06748
160 1OLS TDP 0.0094 0.4323 3.06748
161 3ZY6 GFB 0.002885 0.42742 3.06748
162 4MZ7 DGT 0.007214 0.42266 3.06748
163 4MZ7 DTP 0.008306 0.41999 3.06748
164 1KC7 PPR 0.0004523 0.41564 3.06748
165 1V6A TRE 0.002428 0.41523 3.06748
166 4AQL TXC 0.00561 0.40962 3.06748
167 3A1I UNU 0.0007981 0.40897 3.06748
168 1H16 PYR 0.00994 0.40817 3.06748
169 4LNL PLG 0.005064 0.40715 3.06748
170 4LNL 2BK 0.006916 0.40382 3.06748
171 4LNL 2BO 0.006916 0.40382 3.06748
172 1KTC NGA 0.003585 0.40273 3.06748
173 1FDJ 13P 0.002862 0.40011 3.06748
174 3PMA SCR 0.002422 0.40938 3.0888
175 5YAS FAC 0.0007586 0.43516 3.11284
176 4BT5 23B 0.0009683 0.42803 3.11284
177 1HQL GLA MBG 0.0004513 0.40994 3.11284
178 4I9A NCN 0.003873 0.43311 3.125
179 3GJB AKG 0.0006425 0.42119 3.1348
180 2F01 BTN 0.006949 0.45182 3.14961
181 2F01 BTQ 0.00762 0.44991 3.14961
182 1EYQ NAR 0.0006532 0.42228 3.15315
183 1P9B GDP 0.0003386 0.45973 3.16742
184 1P9B HDA 0.001204 0.41363 3.16742
185 1P9B IMO 0.008575 0.41242 3.16742
186 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01196 0.43119 3.20513
187 4LXH C1E 0.002209 0.42627 3.2491
188 3FXU TSU 0.001281 0.44764 3.27869
189 3PNL ADP 0.004138 0.42261 3.31754
190 2V7T SAH 0.01219 0.45034 3.34448
191 3HZS M0E 0.03594 0.40292 3.34928
192 1XHL NDP 0.0008163 0.46681 3.367
193 1XHL TNE 0.001547 0.40273 3.367
194 1C0I BE2 0.002048 0.46358 3.37423
195 1C0I FAD 0.002048 0.46358 3.37423
196 3A2Q ACA ACA 0.0007617 0.44527 3.37423
197 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.004168 0.44465 3.37423
198 2IMP NAI 0.01337 0.44439 3.37423
199 3LZW NAP 0.009817 0.44071 3.37423
200 1DSS NAD 0.002239 0.43892 3.37423
201 2BO4 FLC 0.001503 0.43763 3.37423
202 1R27 MGD 0.01027 0.42288 3.37423
203 1PL6 NAD 0.00514 0.41864 3.37423
204 2IMP LAC 0.009309 0.40431 3.37423
205 1PL6 572 0.02593 0.40166 3.37423
206 4N7C AEF 0.003695 0.42055 3.40909
207 2Y6P CTP 0.001224 0.40177 3.4188
208 3RF4 FUN 0.0005549 0.43436 3.44828
209 1G8S MET 0.0003927 0.45484 3.47826
210 1TDF NAP 0.002296 0.47807 3.48101
211 1TDF FAD 0.001781 0.4673 3.48101
212 4AIG FLX 0.004523 0.40428 3.48259
213 1GVF PGH 0.0001524 0.45625 3.4965
214 2V5E SCR 0.002589 0.45247 3.5
215 1UJ5 5RP 0.003913 0.40931 3.52423
216 1VPM COA 0.009368 0.40923 3.5503
217 3OZG SSI 0.001235 0.43437 3.6
218 2P41 SAH 0.007797 0.40568 3.60656
219 2P41 G1G 0.004672 0.40107 3.60656
220 1O68 KIV 0.002087 0.4119 3.63636
221 1C1L GAL BGC 0.004584 0.41645 3.64964
222 1T8U UAP SGN IDS SGN 0.005761 0.43625 3.67647
223 1T8U A3P 0.01108 0.40114 3.67647
224 2GSD NAD 0.001124 0.46459 3.68098
225 3F3E LEU 0.001274 0.46456 3.68098
226 1QF5 RPL 0.003119 0.45699 3.68098
227 1QF5 GDP 0.003119 0.45699 3.68098
228 2XDQ MGX 0.004259 0.43287 3.68098
229 4M5P MLA 0.008128 0.42765 3.68098
230 1VJT NAD 0.003157 0.42391 3.68098
231 4I71 AGV 0.002886 0.42356 3.68098
232 1PX8 XYP 0.003359 0.40953 3.68098
233 4M5P 23W 0.01136 0.40552 3.68098
234 4ME6 ADP 0.002262 0.40472 3.68098
235 1QS0 TDP 0.009863 0.40326 3.68098
236 1IM8 SAI 0.002729 0.42843 3.68852
237 2YCJ C2F 0.006172 0.40366 3.69004
238 2QLX RM4 0.002394 0.42879 3.7037
239 1T26 NAI 0.01797 0.44377 3.72671
240 1T26 GBD 0.01797 0.44377 3.72671
241 2NX1 RP5 0.002526 0.43973 3.74532
242 2NX1 PEP 0.004572 0.42858 3.74532
243 2EB5 OXL 0.002575 0.42053 3.74532
244 2FMD MAN MAN 0.008072 0.4069 3.75
245 1F74 NAY 0.0009151 0.43968 3.75427
246 3OIG NAD 0.0003129 0.51211 3.7594
247 3OIG IMJ 0.003207 0.44193 3.7594
248 2OI2 DP6 0.003224 0.41269 3.76712
249 1A5V Y3 0.000676 0.4237 3.79747
250 1QB7 ADE 0.003201 0.41026 3.81356
251 3RKR NAP 0.002556 0.41416 3.81679
252 2FWP ICR 0.001694 0.45666 3.82514
253 2FWP CIT 0.00348 0.43783 3.82514
254 1II5 GLU 0.0001008 0.45439 3.86266
255 1Y13 BIO 0.003618 0.40814 3.8674
256 1T57 FMN 0.0002754 0.4722 3.8835
257 1WRA PC 0.006528 0.40973 3.8961
258 1IUP ALQ 0.0005673 0.47086 3.90071
259 1SS4 GSH 0.000382 0.51811 3.92157
260 1SS4 CIT 0.00306 0.40909 3.92157
261 1XE7 GUN 0.008339 0.41895 3.94089
262 2B4Q NAP 0.001328 0.45476 3.98551
263 4W6Z ETF 0.001259 0.45807 3.98773
264 1XVV CCQ 0.00211 0.45697 3.98773
265 1JQ5 NAD 0.03133 0.44129 3.98773
266 1R37 NAD 0.008407 0.42457 3.98773
267 4PLG NAI 0.01038 0.42372 3.98773
268 4PLG OXM 0.01038 0.42372 3.98773
269 4C2G ALA ALA ALA ALA 0.001172 0.41179 3.98773
270 1KWK GAL 0.009234 0.40263 3.98773
271 2PNZ UDP 0.01713 0.40097 4.01606
272 2AEB ABH 0.006555 0.42879 4.03727
273 1C3V NDP 0.004599 0.43252 4.08163
274 3O7B SAH 0.00002819 0.41433 4.09836
275 4EXO PYR 0.00059 0.46409 4.10959
276 2GJ3 FAD 0.006998 0.42388 4.16667
277 1H8G CHT 0.001622 0.47368 4.21053
278 1X1T NAD 0.002287 0.47815 4.23077
279 3S9K CIT 0.007458 0.43067 4.23729
280 3QV9 QV7 0.0002907 0.45253 4.29448
281 1ITZ TPP 0.001336 0.44513 4.29448
282 4COQ SAN 0.0006794 0.44484 4.29448
283 4DQ2 BTX 0.002739 0.43965 4.29448
284 4IVG ANP 0.01076 0.43372 4.29448
285 2R42 FPS 0.003993 0.41965 4.29448
286 2EFJ SAH 0.004588 0.41322 4.29448
287 4MWV BCZ 0.01785 0.41309 4.29448
288 1VJO PLP 0.004379 0.41193 4.29448
289 4C0C WVH 0.02897 0.40975 4.29448
290 2HXT EHM 0.003755 0.41241 4.30839
291 3KYF 5GP 5GP 0.003058 0.41106 4.329
292 3CEV ARG 0.002529 0.4003 4.34783
293 1UWZ THU 0.004603 0.41105 4.41176
294 2XBP ATP 0.009649 0.43307 4.42478
295 3EW2 BTN 0.002311 0.40249 4.44444
296 2PJL 047 0.02252 0.40495 4.45344
297 3JQM GTP 0.003461 0.40621 4.4586
298 4JLV ADP 0.02693 0.40535 4.46097
299 3RFV NAI 0.000667 0.46472 4.49438
300 3RFV 15L 0.002384 0.43931 4.49438
301 4B16 NAG 0.004452 0.44072 4.51128
302 1H9G COA MYR 0.001267 0.45112 4.52675
303 2YIV YIV 0.002519 0.43538 4.57317
304 2YIV NBN 0.002153 0.43081 4.57317
305 4G1V FAD 0.0005412 0.46865 4.60123
306 1ECC PCP 0.002961 0.43047 4.60123
307 1TOI HCI 0.005985 0.42488 4.60123
308 1OWB NAD 0.01723 0.40669 4.60123
309 2J8Z NAP 0.01842 0.40358 4.60123
310 2YK7 CSF 0.01143 0.40059 4.60123
311 4F2Q QUS 0.001548 0.428 4.65116
312 4BMO FMN 0.002604 0.43612 4.65839
313 3TCT 3MI 0.01226 0.43259 4.72441
314 2YBQ UP2 0.01026 0.42289 4.79452
315 3UEC ALA ARG TPO LYS 0.003529 0.42142 4.79452
316 2YBQ SAH 0.004156 0.41893 4.79452
317 2H6B 3C4 0.02249 0.42162 4.8
318 1NVU GTP 0.01052 0.43717 4.81928
319 1U7Z PMT 0.0009667 0.46493 4.86726
320 2NW9 FT6 0.001279 0.41288 4.90196
321 3OND ADN 0.0001267 0.52116 4.90798
322 3OND NAD 0.0001267 0.52116 4.90798
323 2C7G FAD 0.004155 0.45687 4.90798
324 2C7G ODP 0.006029 0.44853 4.90798
325 4A3R CIT 0.00274 0.44738 4.90798
326 2YVF FAD 0.007956 0.4464 4.90798
327 2YVF NAD 0.008218 0.4464 4.90798
328 1RY2 AMP 0.005598 0.42186 4.90798
329 3M6W SAM 0.003346 0.41671 4.90798
330 3GE7 AFQ 0.01245 0.41586 4.90798
331 2NCD ADP 0.004018 0.40638 4.90798
332 3I0O ADP 0.001085 0.40561 4.90798
333 2W8Q SIN 0.01031 0.40246 4.90798
334 3T2W BTN 0.0007891 0.43448 4.91803
335 1RRC ADP 0.01255 0.40225 4.98339
336 4LBP 1WG 0.003573 0.43462 5
337 3Q3C NAD 0.01304 0.43133 5.01672
338 4BAS GNP 0.0005675 0.457 5.02513
339 2BGM NAJ 0.002773 0.46588 5.03597
340 2DTJ THR 0.0007266 0.41395 5.05618
341 3TA2 AKG 0.001436 0.45183 5.08475
342 3TA2 ATP 0.02679 0.40157 5.08475
343 1M1B SPV 0.002672 0.40104 5.08475
344 1L2T ATP 0.0004227 0.46629 5.10638
345 3N5O GSH 0.0004968 0.45517 5.10638
346 3KJI ADP 0.005796 0.40696 5.11811
347 1ZUW DGL 0.002229 0.41375 5.14706
348 1NU4 MLA 0.001947 0.46952 5.15464
349 2A0W DIH 0.0059 0.43082 5.19031
350 3PNA CMP 0.001386 0.41039 5.19481
351 3MAG 3MA 0.01149 0.42013 5.21173
352 2B82 ADN 0.002016 0.43395 5.21327
353 1YS4 NAP 0.0008718 0.45113 5.21472
354 2ZJ3 G6P 0.0007447 0.45003 5.21472
355 2DKH FAD 0.00316 0.44221 5.21472
356 3WO0 ALA 0.004321 0.4397 5.21472
357 3WO0 ADP 0.004321 0.4397 5.21472
358 1GJW GLC 0.001679 0.43552 5.21472
359 1B8U NAD 0.002926 0.42716 5.21472
360 3WE0 FAD 0.01208 0.42642 5.21472
361 3IO3 ADP 0.003638 0.4194 5.21472
362 1ZGA SAH 0.002824 0.41743 5.21472
363 1ZGA HMK 0.002946 0.41427 5.21472
364 2DKH 3HB 0.02038 0.41242 5.21472
365 3FED BIX 0.007242 0.40505 5.21472
366 2GDZ NAD 0.0002851 0.48388 5.24345
367 1MVN PCO 0.01905 0.42605 5.26316
368 1MVN FMN 0.03164 0.40278 5.26316
369 1R18 SAH 0.001757 0.4383 5.28634
370 1M5B BN1 0.0008982 0.48891 5.32319
371 3PFG SAM 0.004036 0.44528 5.32319
372 3PFG TLO 0.004036 0.44528 5.32319
373 4C1K PEP 0.003594 0.40268 5.34351
374 1ZJ6 G3D 0.00009882 0.43239 5.34759
375 1DKU AP2 0.008325 0.41661 5.36278
376 3MCT SAH 0.0005941 0.45617 5.38721
377 4C0X FMN 0.004371 0.42797 5.41872
378 3TO7 COA 0.00466 0.4404 5.43478
379 2VQ5 HBA 0.001876 0.43342 5.47264
380 1FIQ FAD 0.0003759 0.4844 5.47945
381 1FIQ MTE 0.002966 0.43952 5.47945
382 1FIQ SAL 0.003406 0.43952 5.47945
383 1WVG APR 0.0002529 0.47947 5.52147
384 1DLJ NAI 0.007817 0.44017 5.52147
385 1GPJ CIT 0.001373 0.43201 5.52147
386 4QN7 G39 0.007177 0.42875 5.52147
387 1DLJ UGA 0.01696 0.42449 5.52147
388 2HGS GSH 0.002312 0.42095 5.52147
389 2VJJ RAM GLC GAL NAG NAG GLC 0.03125 0.41168 5.52147
390 3DDN HPV 0.002146 0.40437 5.52147
391 1JIL 485 0.0105 0.40212 5.52147
392 2HGS ADP 0.01293 0.4017 5.52147
393 3F8C HT1 0.0006732 0.43778 5.55556
394 3I6B KDO 0.0005102 0.43578 5.55556
395 3SCH TB6 0.005738 0.40589 5.55556
396 1F1V DHY 0.0002748 0.4351 5.57276
397 2BZ1 TAU 0.00237 0.46504 5.61225
398 3K56 IS3 0.005772 0.40484 5.6391
399 2VAR AMP 0.00008967 0.44319 5.7508
400 1C4U IH1 0.004546 0.41636 5.79151
401 1O0D 163 0.00608 0.40818 5.79151
402 3FSJ D7K 0.004414 0.46316 5.82822
403 1RYD GLC 0.00006381 0.45169 5.82822
404 1UAY ADN 0.0004839 0.44844 5.82822
405 2PUL ACP 0.001039 0.43743 5.82822
406 4OYA 1VE 0.0283 0.43558 5.82822
407 1HEX NAD 0.005261 0.42594 5.82822
408 1RYD NDP 0.01431 0.41743 5.82822
409 2Z9V PXM 0.002044 0.41225 5.82822
410 4FFG 0U8 0.03891 0.40092 5.82822
411 1Y7P RIP 0.002013 0.43982 5.8296
412 2HGZ PBF 0.01388 0.40346 5.88235
413 1O6B ADP 0.0293 0.40952 5.91716
414 3I51 45C 0.0003852 0.41131 5.92593
415 3R35 4CO 0.003573 0.43733 5.96026
416 1LCP PLU 0.003679 0.42968 6.13497
417 2OWZ CIT 0.004508 0.4103 6.13497
418 1UQX MMA 0.0009273 0.45361 6.19469
419 2C4I BTN 0.001399 0.43216 6.27306
420 1YAG ATP 0.003744 0.42615 6.4
421 4WNB 4BN 0.001369 0.43481 6.41711
422 3PJU C2E 0.009293 0.41384 6.4257
423 2ZWS PLM 0.002359 0.46514 6.44172
424 2XVE FAD 0.01615 0.43242 6.44172
425 2P4T NAP 0.01385 0.41147 6.45161
426 1QO0 BMD 0.006113 0.40473 6.63265
427 3E81 SLB 0.005467 0.40095 6.70732
428 4R33 TRP 0.002546 0.44636 6.74847
429 4R33 SAH 0.002546 0.44636 6.74847
430 3FPZ AHZ 0.02262 0.4332 6.74847
431 1X54 4AD 0.005733 0.41989 6.74847
432 2J0W ADP 0.003369 0.41874 6.74847
433 1AUX AGS 0.0005879 0.44989 6.75241
434 1Y75 NAG 0.002395 0.40037 6.77966
435 2D37 FMN 0.005137 0.42495 6.81818
436 2D37 NAD 0.005544 0.42495 6.81818
437 4Q3F TLA 0.00337 0.41561 6.83761
438 2ZE3 AKG 0.001274 0.41465 6.90909
439 2D0V PQQ 0.001226 0.44102 6.94444
440 2OYS FMN 0.0009489 0.44765 7.02479
441 3S2Y FMN 0.001856 0.42715 7.03518
442 3UH0 TSB 0.006655 0.41554 7.05521
443 3W2W ATP 0.002892 0.41459 7.05521
444 6FIV 3TL 0.0005367 0.44662 7.07965
445 1NW5 SAM 0.001541 0.43688 7.21003
446 1JUV NDP 0.01282 0.40779 7.25389
447 1WUR 8DG 0.005697 0.41675 7.27273
448 1GSA GSH 0.01689 0.41798 7.27848
449 1GSA ADP 0.0289 0.41216 7.27848
450 1ZFJ IMP 0.003452 0.48034 7.36196
451 3L6R MLI 0.0003331 0.46622 7.51445
452 1OGD RIP 0.001025 0.42395 7.63359
453 4BI7 PGA 0.0009447 0.42845 7.7821
454 4G28 0W8 0.001694 0.40697 7.84314
455 2WCV FUC 0.0008416 0.43043 7.85714
456 1SSQ CYS 0.0413 0.40375 7.86517
457 3A8U PLP 0.002203 0.4376 7.97546
458 1I1Q TRP 0.0009374 0.42859 7.97546
459 4WBD ADP 0.003163 0.4235 7.97546
460 1B9I PXG 0.005731 0.4183 7.97546
461 1TUF AZ1 0.006654 0.41712 7.97546
462 1T10 F6P 0.002736 0.41313 7.97546
463 4WBD CIT 0.009636 0.40879 7.97546
464 1ULE GLA GAL NAG 0.002372 0.43657 8
465 3ZRR PXG 0.002711 0.42666 8.07292
466 1OAA OAA 0.006133 0.4399 8.10811
467 1POC GEL 0.002618 0.42324 8.20895
468 4K5S FAD 0.002398 0.44751 8.28221
469 4K5S PM0 0.005217 0.44751 8.28221
470 4NE2 ADP 0.01934 0.40735 8.28221
471 4NE2 SH2 0.02159 0.40735 8.28221
472 1SC3 MLI 0.001049 0.45272 8.42697
473 3BY8 MLT 0.0003267 0.46659 8.4507
474 1BTN I3P 0.005054 0.45073 8.49057
475 3U4C NDP 0.0009694 0.45924 8.54093
476 3DDC GNP 0.001776 0.44323 8.58896
477 1L1Q 9DA 0.004549 0.41729 8.60215
478 1TU3 GNP 0.002455 0.43721 8.77193
479 1YOA FMN 0.008046 0.43715 8.80503
480 3H86 AP5 0.0485 0.40474 8.85417
481 3BL6 FMC 0.001014 0.44236 9.13043
482 3Q9T FAY 0.001672 0.46041 9.20245
483 1D6H COA 0.02366 0.41299 9.20245
484 2ZJ5 ADP 0.003166 0.41057 9.20245
485 2EWM NAD 0.0002129 0.49096 9.23695
486 4K30 NLG 0.0005056 0.41485 9.375
487 1PR9 NAP 0.0003061 0.48696 9.42623
488 3D3W NAP 0.001754 0.45087 9.42623
489 3GM5 CIT 0.00749 0.40101 9.43396
490 4CKL SM8 0.001395 0.44065 9.5092
491 3L24 GOA 0.01003 0.41513 9.5092
492 4AAW R84 0.03481 0.40837 9.5092
493 1XNK XS2 0.002073 0.42519 9.69388
494 3CQD ATP 0.003058 0.44754 9.70874
495 2HVW DCP 0.002668 0.41842 9.78261
496 2HVW DDN 0.003392 0.4142 9.78261
497 2OFD NGA 0.002113 0.42414 9.85915
498 2OFE NAG 0.002468 0.4213 9.85915
499 1A8R GTP 0.001779 0.43428 9.95475
500 1OTH PAO 0.01578 0.41014 9.96885
501 2YGN PCF 0.01019 0.41481 10.2564
502 1V2X SAM 0.0003017 0.46636 10.3093
503 4F8L GAL 0.0004797 0.50142 10.3448
504 3SQG COM 0.002569 0.45264 10.3943
505 1UBY DMA 0.006556 0.40683 10.4294
506 3QDT A2G GAL 0.00374 0.42755 10.4895
507 3QDY A2G GAL 0.006141 0.41773 10.4895
508 3QDY CBS 0.01004 0.40154 10.4895
509 2P1M IHP 0.002479 0.43703 10.7362
510 2YC5 6BC 0.001268 0.46227 11.4035
511 1OFH ADP 0.001387 0.44783 11.4943
512 1FMB HYB 0.0009226 0.43451 11.5385
513 2UZ2 BTN 0.006686 0.40442 11.5385
514 1JGS SAL 0.004808 0.44891 11.5942
515 1Q0H NDP 0.01118 0.43136 11.6564
516 1Q0H FOM 0.01123 0.4296 11.6564
517 4F4S EFO 0.002203 0.41099 11.8421
518 4UBP HAE 0.003826 0.42136 11.8812
519 1H2B NAJ 0.0004488 0.47963 11.9632
520 1Y2W NAG 0.002365 0.42208 11.9718
521 1KHT AMP 0.001439 0.42125 11.9792
522 3F81 STT 0.01381 0.40848 12.0219
523 1FS5 TLA 0.01453 0.40613 12.0301
524 1JA9 PYQ 0.004028 0.43236 12.0438
525 3LTW HLZ 0.005689 0.40605 12.1429
526 4Q3R XA2 0.01233 0.40713 12.2699
527 1SOW NAD 0.00419 0.43556 12.5767
528 3UR0 SVR 0.03939 0.40354 12.5767
529 3SJ0 DXC 0.005411 0.4133 12.6761
530 4LTN NAI 0.0307 0.41093 12.6904
531 1B66 BIO 0.01121 0.40433 12.8571
532 4FGC PQ0 0.002889 0.40006 13.3333
533 2PWY SAH 0.00005499 0.5038 13.5659
534 2DVZ GLU 0.0008799 0.40985 13.6943
535 2FR6 URI 0.00008662 0.40135 13.6986
536 1BGQ RDC 0.007981 0.4167 13.7778
537 3RGG AIR 0.003409 0.40918 13.8365
538 1EZV SMA 0.005399 0.42402 14.1732
539 1EZV UQ6 0.0105 0.40553 14.1732
540 2AMV BIN 0.002052 0.46714 15.0307
541 1FP1 SAH 0.0004159 0.45364 15.0307
542 1FP1 HCC 0.003505 0.42007 15.0307
543 2BOI MFU 0.001369 0.41905 15.0442
544 2VBQ BSJ 0.0024 0.44873 15.1515
545 1EDO NAP 0.02164 0.42988 15.1639
546 1OGZ EQU 0.003314 0.41221 15.2
547 2HMT NAI 0.01015 0.4333 15.2778
548 3ICC NAP 0.006035 0.42858 15.2941
549 3K3G MMU 0.003605 0.4054 15.3374
550 1A69 FMB 0.01411 0.43521 15.9664
551 1OIK C26 0.007992 0.40125 16.2791
552 2ALG DAO 0.001981 0.43426 16.3043
553 2ALG HP6 0.001981 0.43426 16.3043
554 4TMK T5A 0.007193 0.42522 17.3709
555 3ZGE ASP 0.003355 0.42971 17.4847
556 4GQB 0XU 0.00162 0.47362 18.7117
557 1YGC 905 0.003614 0.42146 19.0476
558 4BCS BTN 0.001227 0.43449 20
559 1DL7 NCH 0.02013 0.41614 20.5357
560 2O66 FLC 0.0008282 0.43414 20.7407
561 1UO4 PIH 0.005416 0.43647 23.5294
562 1UO5 PIH 0.01657 0.42061 23.5294
563 4LFL TG6 0.001618 0.42206 27.907
564 2E1A MSE 0.000748 0.41978 30.6667
565 4HZD COA 0.01207 0.41867 32.2695
566 4LSJ LSJ 0.003136 0.4259 38.4615
Pocket No.: 7; Query (leader) PDB : 1NML; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1nml.bio2) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1NML; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1nml.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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