Receptor
PDB id Resolution Class Description Source Keywords
4JJF 2.2 Å EC: 1.12.98.2 CRYSTAL STRUCTURE OF FE-HYDROGENASE FROM METHANOTHERMOBACTER MARBURGENSIS IN COMPLEX WITH 2-NAPHTHYLISOCYANIDE METHANOTHERMOBACTER MARBURGENSIS ALPHA-BETA FOLD HYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF [FE]-HYDROGENASE IN COMPLEX W INHIBITORY ISOCYANIDES: IMPLICATIONS FOR THE H2 -AC SITE. ANGEW.CHEM.INT.ED.ENGL. V. 52 9656 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE9 A:401;
B:401;
B:401;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
686.323 C21 H23 Fe N6 O13 P S CC1=C...
IC9 B:402;
Valid;
none;
Ki = 2 nM
213.297 C10 H15 N O2 S Cc1cc...
N2I A:402;
B:402;
Valid;
Valid;
none;
none;
Ki = 10 nM
155.196 C11 H9 N C=Nc1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JJF 2.2 Å EC: 1.12.98.2 CRYSTAL STRUCTURE OF FE-HYDROGENASE FROM METHANOTHERMOBACTER MARBURGENSIS IN COMPLEX WITH 2-NAPHTHYLISOCYANIDE METHANOTHERMOBACTER MARBURGENSIS ALPHA-BETA FOLD HYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF [FE]-HYDROGENASE IN COMPLEX W INHIBITORY ISOCYANIDES: IMPLICATIONS FOR THE H2 -AC SITE. ANGEW.CHEM.INT.ED.ENGL. V. 52 9656 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4JJF Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
2 4JJG Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DAF - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
2 3F46 - I2C FE2 CMO CMO n/a n/a
3 3H65 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
4 3DAG - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
5 4JJF Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
6 4JJG Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DAF - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
2 3F46 - I2C FE2 CMO CMO n/a n/a
3 3H65 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
4 3DAG - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
5 4JJF Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
6 4JJG Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FE9; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 FE9 1 1
2 YGP 0.595041 0.860215
3 GP3 0.575221 0.778947
4 GDP 0.570175 0.776596
5 GNH 0.565217 0.787234
6 GMV 0.555556 0.778947
7 GTP 0.555556 0.776596
8 G 0.553571 0.784946
9 5GP 0.553571 0.784946
10 G1R 0.550847 0.768421
11 GCP 0.550847 0.760417
12 I2C FE2 CMO CMO 0.547445 0.935484
13 GNP 0.546219 0.778947
14 GSP 0.546219 0.8
15 GPG 0.544715 0.770833
16 ZGP 0.537313 0.833333
17 G2R 0.536585 0.752577
18 GP2 0.529915 0.752577
19 FEG 0.529851 0.804124
20 GKE 0.527559 0.770833
21 Y9Z 0.527559 0.767677
22 GDC 0.527559 0.770833
23 GDD 0.527559 0.770833
24 GAV 0.52459 0.808511
25 GDR 0.523438 0.789474
26 GFB 0.523438 0.789474
27 JB2 0.523077 0.789474
28 G3A 0.51938 0.778947
29 GPD 0.519084 0.802083
30 ALF 5GP 0.516667 0.755102
31 G5P 0.515385 0.778947
32 GTG 0.511628 0.791667
33 GDP MG 0.508333 0.778947
34 G2P 0.508197 0.752577
35 6CK 0.507692 0.755102
36 GDP BEF 0.504132 0.762887
37 GKD 0.5 0.770833
38 U2G 0.49635 0.791667
39 GDX 0.496241 0.778947
40 BEF GDP 0.491935 0.755102
41 GTP MG 0.491935 0.778947
42 CG2 0.489209 0.791667
43 JB3 0.489051 0.8
44 GCP G 0.488 0.768421
45 NGD 0.485507 0.789474
46 GDP ALF 0.480315 0.755102
47 GDP AF3 0.480315 0.755102
48 TPG 0.47619 0.792079
49 PGD 0.472603 0.840426
50 G G 0.469231 0.787234
51 2MD 0.464789 0.852632
52 GDP 7MG 0.459259 0.789474
53 GMP 0.455357 0.684211
54 MGD 0.455172 0.852632
55 CAG 0.455172 0.77
56 MD1 0.452703 0.833333
57 G4M 0.44586 0.752475
58 G3D 0.4375 0.765957
59 G4P 0.430769 0.765957
60 U A G G 0.428571 0.787234
61 0O2 0.428571 0.765957
62 DBG 0.427632 0.78125
63 G A A A 0.421769 0.778947
64 3GP 0.421488 0.755319
65 GPC 0.416107 0.767677
66 G1G 0.410596 0.802083
67 PGD O 0.406452 0.85567
68 GH3 0.401515 0.757895
69 G1R G1R 0.4 0.762887
Ligand no: 2; Ligand: IC9; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IC9 1 1
Ligand no: 3; Ligand: N2I; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 N2I 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JJF; Ligand: FE9; Similar sites found: 371
This union binding pocket(no: 1) in the query (biounit: 4jjf.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EB4 FAD 0.003118 0.41844 1.16279
2 1QO8 FAD 0.0008242 0.44404 1.45349
3 2BRY FAD 0.0007051 0.43604 1.45349
4 1VKO NAD 0.000795 0.40991 1.45349
5 1P0F NAP 0.004242 0.40404 1.45349
6 4TXI FAD 0.001249 0.40161 1.45349
7 1EZ4 NAD 0.0005587 0.43587 1.57233
8 3T31 DCQ 0.0005773 0.46259 1.74419
9 3T31 FAD 0.0005264 0.46259 1.74419
10 2WET FAD 0.0002975 0.46097 1.74419
11 2BH9 NAP 0.008756 0.41561 1.74419
12 4XFR CIT 0.03695 0.40106 1.74419
13 4MP8 NAD 0.002502 0.41907 1.76991
14 4NTC FAD 0.00113 0.4374 1.79104
15 1LDN NAD 0.0002757 0.44921 1.89873
16 2IXB NAD 0.00002296 0.46749 2.03488
17 2F5Z FAD 0.0007562 0.44662 2.03488
18 5M67 NAD 0.001077 0.44514 2.03488
19 5M67 ADE 0.001093 0.44488 2.03488
20 1ZMD NAI 0.0004093 0.44461 2.03488
21 5M67 3D1 0.001125 0.44436 2.03488
22 2NAD NAD 0.0007484 0.43763 2.03488
23 1F8G NAD 0.002079 0.42595 2.03488
24 2IXB A2G 0.00004177 0.4249 2.03488
25 1PS9 FAD 0.002897 0.42076 2.03488
26 4DMG SAM 0.01112 0.41815 2.03488
27 3ICR FAD 0.003678 0.41236 2.03488
28 3ICS FAD 0.004545 0.40974 2.03488
29 3C0G 3AM 0.01749 0.40848 2.03488
30 3ICT FAD 0.004795 0.40773 2.03488
31 3V1Y NAD 0.0001016 0.4649 2.07715
32 3KB6 NAD 0.0002871 0.44379 2.09581
33 1I0Z NAI 0.001039 0.41268 2.1021
34 9LDT NAD 0.0002886 0.44844 2.10843
35 9LDB NAD 0.0002812 0.42781 2.10843
36 3F8D FAD 0.01627 0.4079 2.16718
37 3CTY FAD 0.001101 0.44094 2.19436
38 3OA2 NAD 0.0004522 0.43103 2.20126
39 4URN NOV 0.04432 0.40055 2.22222
40 4K28 NAD 0.00006109 0.47758 2.23048
41 5D4V SAH 0.0005549 0.45017 2.23881
42 3DXY SAM 0.001796 0.45694 2.29358
43 1O6Z NAD 0.002171 0.40049 2.31023
44 1BZL FAD 0.001293 0.46779 2.32558
45 1MO9 FAD 0.002446 0.44853 2.32558
46 1MO9 KPC 0.002864 0.44607 2.32558
47 1XHC FAD 0.0005122 0.44546 2.32558
48 3ABI NAD 0.0001622 0.44281 2.32558
49 2GSD NAD 0.0005581 0.4427 2.32558
50 1R37 NAD 0.0005186 0.44266 2.32558
51 2VT3 ATP 0.000004383 0.43626 2.32558
52 2GVC FAD 0.001001 0.43003 2.32558
53 1VQW FAD 0.001195 0.427 2.32558
54 2E5V FAD 0.00237 0.42629 2.32558
55 1PL6 572 0.001587 0.42083 2.32558
56 2GV8 NDP 0.002274 0.41789 2.32558
57 4YNU FAD 0.004476 0.4159 2.32558
58 1PL6 NAD 0.0003746 0.4154 2.32558
59 3S5W FAD 0.002493 0.41181 2.32558
60 3NTD FAD 0.004293 0.41074 2.32558
61 3NT6 FAD 0.004775 0.40887 2.32558
62 4YNU LGC 0.01048 0.40401 2.32558
63 5TUK FAD 0.002316 0.40055 2.32558
64 1X87 NAD 0.0002653 0.43029 2.35935
65 4KOA NDP 0.004481 0.42542 2.4024
66 2F1K NAP 0.00001202 0.50125 2.50896
67 1JG3 ADN 0.00962 0.40689 2.55319
68 1GV0 NAD 0.0009083 0.42753 2.58065
69 1GUZ NAD 0.000863 0.42691 2.58065
70 2AQJ TRP 0.001946 0.44101 2.60223
71 2AQJ FAD 0.002027 0.44101 2.60223
72 1GR0 NAD 0.00001155 0.50811 2.61628
73 5UAV TFB 0.00001848 0.50308 2.61628
74 5UAV NDP 0.00001848 0.50308 2.61628
75 2DKH FAD 0.0005625 0.43992 2.61628
76 2DKH 3HB 0.001908 0.42603 2.61628
77 3GDN HBX 0.01353 0.40091 2.61628
78 3GDN FAD 0.009362 0.40091 2.61628
79 2EV9 NAP 0.001593 0.42076 2.6616
80 1CF2 NAP 0.0003498 0.43753 2.67062
81 1J49 NAD 0.000166 0.45463 2.7027
82 1WP4 NDP 0.0003856 0.43885 2.76817
83 2CVZ NDP 0.0003696 0.43601 2.76817
84 1OMO NAD 0.00009567 0.44954 2.79503
85 2B9W FAD 0.007159 0.41554 2.83019
86 4RDH AMP 0.00008132 0.51061 2.90698
87 4D79 ATP 0.0001526 0.48755 2.90698
88 2WPF FAD 0.001064 0.4711 2.90698
89 2WPF WPF 0.001252 0.46943 2.90698
90 2CDC XYP 0.002756 0.43884 2.90698
91 4DSG FAD 0.003277 0.43425 2.90698
92 1REO FAD 0.001314 0.43257 2.90698
93 2VVM FAD 0.001495 0.43139 2.90698
94 2CDC NAP 0.00413 0.43128 2.90698
95 2CDC XYS 0.00413 0.43128 2.90698
96 5UAO FAD 0.001763 0.42631 2.90698
97 2HQM FAD 0.002369 0.42532 2.90698
98 4DSG UDP 0.005758 0.42239 2.90698
99 1N1G BCP 0.002011 0.42054 2.90698
100 1U3U BNF 0.003648 0.41766 2.90698
101 4RDI ATP 0.0002651 0.40746 2.90698
102 1P77 ATR 0.0004723 0.50342 2.94118
103 1NYT NAP 0.00388 0.40559 2.95203
104 3FZG SAM 0.0151 0.40449 3
105 5FUI APY 0.01032 0.40068 3.0303
106 2AG8 NAP 0.000007173 0.47689 3.04183
107 1LTH NAD 0.0002103 0.43668 3.1348
108 1ZQ9 SAM 0.0004419 0.46688 3.15789
109 2YVF NAD 0.001114 0.45359 3.19767
110 2YVF FAD 0.001081 0.45339 3.19767
111 4M52 FAD 0.0005913 0.44993 3.19767
112 1YKJ FAD 0.001634 0.4472 3.19767
113 4J36 1HR 0.0009811 0.44199 3.19767
114 4J36 FAD 0.0005618 0.43993 3.19767
115 1OBB NAD 0.00137 0.42684 3.19767
116 3LXD FAD 0.001578 0.42474 3.19767
117 4W6Z 8ID 0.002477 0.41811 3.19767
118 3FWN ATR 0.002571 0.4151 3.19767
119 1N4W FAD 0.005806 0.41034 3.19767
120 1ZH8 NAP 0.0007071 0.4287 3.23529
121 4XB2 HSE 0.002562 0.41266 3.28358
122 4XB2 NDP 0.0007827 0.41266 3.28358
123 4YCA NDP 0.0007427 0.43102 3.40136
124 2I3G NAP 0.001646 0.40266 3.40909
125 4XZ3 COA 0.001575 0.42765 3.47826
126 2B4R AES 0.0002346 0.45041 3.48837
127 2B4R NAD 0.0003335 0.44598 3.48837
128 1FEC FAD 0.001047 0.4438 3.48837
129 1E5Q NDP 0.0003529 0.4353 3.48837
130 4EIP FAD 0.002161 0.42891 3.48837
131 4EIP K2C 0.002445 0.42856 3.48837
132 4USR FAD 0.0038 0.40716 3.48837
133 1RP0 AHZ 0.0009274 0.43 3.52113
134 2NXE SAM 0.004673 0.42097 3.54331
135 2DBZ NAP 0.002633 0.40813 3.59281
136 1CER NAD 0.0004304 0.44032 3.62538
137 1Y8Q ATP 0.00009097 0.47472 3.77907
138 3UCL NAP 0.001397 0.45359 3.77907
139 3UCL FAD 0.001252 0.45359 3.77907
140 3UCL CYH 0.001252 0.45359 3.77907
141 1U1I NAD 0.0003984 0.4472 3.77907
142 4AP3 NAP 0.001641 0.44567 3.77907
143 4NTD FAD 0.000683 0.44289 3.77907
144 2C7G FAD 0.00434 0.42474 3.77907
145 2C7G ODP 0.007636 0.41362 3.77907
146 3L9W AMP 0.002516 0.41165 3.77907
147 5H81 NAP 0.004539 0.41162 3.77907
148 2QA1 FAD 0.0003842 0.40712 3.77907
149 4DPL NAP 0.001609 0.40707 3.77907
150 3L9W GSH 0.003108 0.40534 3.77907
151 1K3T BRZ 0.005079 0.40218 3.77907
152 4L8V NAP 0.001601 0.41795 3.85757
153 1RM4 NDP 0.001644 0.41457 3.85757
154 4JK3 NAD 0.00003073 0.4767 3.861
155 3L4S 3PG 0.001124 0.42805 3.86905
156 3L4S NAD 0.001039 0.42805 3.86905
157 1UXG NAD 0.0006177 0.44464 3.8835
158 2PZM NAD 0.008996 0.40253 3.93939
159 2PZM UDP 0.008996 0.40253 3.93939
160 1LDM NAD 0.0007566 0.41783 3.95137
161 5OFW 9TW 0.0001461 0.53957 4.03587
162 2A92 NAI 0.0005665 0.43841 4.04984
163 1WDK NAD 0.00001498 0.47542 4.06977
164 3CIF NAD 0.0001515 0.45617 4.06977
165 3CIF G3H 0.0002717 0.45514 4.06977
166 4TSK NDP 0.0002414 0.44306 4.06977
167 1V59 FAD 0.001238 0.43983 4.06977
168 1GET NAP 0.003343 0.43718 4.06977
169 1GET FAD 0.003121 0.43718 4.06977
170 1MV8 NAD 0.0003658 0.43569 4.06977
171 1UP7 NAD 0.0004192 0.42982 4.06977
172 1MUU NAD 0.0009808 0.42946 4.06977
173 2Q1S NAI 0.002697 0.424 4.06977
174 5FJN BE2 0.005316 0.41373 4.06977
175 5FJN FAD 0.004553 0.41373 4.06977
176 2D2I NAP 0.00139 0.40672 4.06977
177 3B20 NAD 0.001415 0.4098 4.12979
178 3CMC NAD 0.006748 0.42272 4.19162
179 2RGH FAD 0.007793 0.40228 4.20315
180 2RGO FAD 0.003718 0.41217 4.28336
181 1YJQ NAP 0.001393 0.42437 4.29043
182 5GZ6 NDP 0.001688 0.43329 4.29448
183 5GZ6 7C3 0.00273 0.41774 4.29448
184 4TUZ 36J 0.0173 0.40872 4.31373
185 4MG8 27J 0.01806 0.40421 4.31373
186 1T26 NAI 0.0006896 0.4472 4.34783
187 1D1T NAD 0.001496 0.42183 4.36047
188 5O4J 9KH 0.0008811 0.43354 4.37956
189 5O4J SAH 0.0008811 0.43354 4.37956
190 5O4J PJL 0.000872 0.4324 4.37956
191 1J0X NAD 0.0002718 0.46481 4.51807
192 5AYV KPL 0.001897 0.42156 4.53074
193 5AYV NAP 0.0007806 0.41343 4.53074
194 2VYN NAD 0.0001992 0.45157 4.53172
195 1GAD NAD 0.0002188 0.44419 4.54545
196 3VYW SAM 0.003267 0.42093 4.54545
197 1UAY ADN 0.02089 0.40117 4.54545
198 3WV8 ATP 0.0003434 0.46731 4.58716
199 5N53 8NB 0.00002982 0.57219 4.61538
200 4J4H NAI 0.0001237 0.48212 4.6332
201 4J4H 1J1 0.0001237 0.48212 4.6332
202 3H9E NAD 0.0001325 0.46038 4.65116
203 1SC6 NAD 0.0001621 0.45975 4.65116
204 1YY5 FAD 0.0006961 0.44912 4.65116
205 1RSG FAD 0.0007211 0.44641 4.65116
206 4D04 NAP 0.002839 0.43692 4.65116
207 5KVS NAP 0.001192 0.42931 4.65116
208 5BUK FAD 0.002691 0.42499 4.65116
209 1P31 EPU 0.004446 0.42194 4.65116
210 2NVK FAD 0.005 0.4111 4.65116
211 4RQU NAD 0.003039 0.40572 4.65116
212 5U5G NAP 0.001722 0.40933 4.74576
213 3H8V ATP 0.00005899 0.42905 4.79452
214 2NU8 COA 0.001389 0.41389 4.86111
215 1M2W NAD 0.001217 0.43229 4.94186
216 5DN9 NAD 0.0001217 0.43184 4.94186
217 1D4D FAD 0.002232 0.42736 4.94186
218 4TM3 FAD 0.007205 0.42272 4.94186
219 3WGT QSC 0.005939 0.4143 4.94186
220 3WGT FAD 0.005671 0.4143 4.94186
221 2YYY NAP 0.0005969 0.43311 4.95627
222 2G5C NAD 0.00003723 0.48152 4.98221
223 3AD8 NAD 0.0004081 0.44678 5.05051
224 5AHO TLA 0.009924 0.41911 5.05952
225 3BAZ NAP 0.002028 0.41685 5.1051
226 5T9E NAP 0.0002469 0.4429 5.16605
227 3RNM FAD 0.0006793 0.44852 5.17241
228 2HJR APR 0.0008854 0.43801 5.18293
229 1O0S NAI 0.001998 0.42337 5.23256
230 3SSO SAH 0.003112 0.41848 5.23256
231 2Y6Q FAD 0.001851 0.41821 5.23256
232 2Y6Q I7T 0.004351 0.41821 5.23256
233 5MQ6 NDP 0.003525 0.41314 5.23256
234 3ZNN 4WL 0.009528 0.41098 5.23256
235 3ZNN FAD 0.009528 0.41098 5.23256
236 5JE8 NAD 0.00003869 0.4855 5.29801
237 1JNR FAD 0.01586 0.41059 5.33333
238 4GKV NAD 0.001763 0.4216 5.35714
239 1HDG NAD 0.000601 0.43795 5.42169
240 2YVJ NAI 0.0004639 0.40517 5.50459
241 1BW9 NAD 0.0002626 0.46388 5.52326
242 2VHW NAI 0.0003889 0.45024 5.52326
243 5JCM NAD 0.002116 0.44378 5.52326
244 1C1X NAD 0.0005842 0.43511 5.52326
245 5JCM FAD 0.003953 0.43143 5.52326
246 5JCM ISD 0.004096 0.43143 5.52326
247 1BXG NAD 0.0004884 0.43113 5.52326
248 1HKU NAD 0.0003889 0.42343 5.52326
249 2RGJ FAD 0.002385 0.41516 5.52326
250 3GMB FAD 0.004464 0.40559 5.52326
251 1NVM NAD 0.0003511 0.42659 5.76923
252 2RAB FAD 0.001173 0.43981 5.81395
253 2RAB NAD 0.002712 0.43981 5.81395
254 3UOY NAP 0.004043 0.43297 5.81395
255 1RYI FAD 0.008612 0.40147 5.81395
256 4PLG NAI 0.0009433 0.43607 5.98802
257 2GCG NDP 0.002408 0.40343 6.06061
258 1KOL NAD 0.0003586 0.45165 6.10465
259 5LD5 NAD 0.0004356 0.45076 6.10465
260 4BJZ P3A 0.01021 0.4173 6.10465
261 4RPL 3UC 0.0221 0.40095 6.10465
262 5L95 AMP 0.0004352 0.4628 6.25
263 2V3A FAD 0.0006707 0.44321 6.39535
264 3KLJ FAD 0.001798 0.42 6.39535
265 3WLE NAD 0.0001524 0.46648 6.45161
266 1HYH NAD 0.0006254 0.41601 6.47249
267 2DT5 NAD 0.0001283 0.45199 6.63507
268 4E5N NAD 0.0002186 0.45315 6.66667
269 1V8B NAD 0.000511 0.4455 6.68605
270 1DJN ADP 0.0001366 0.43799 6.68605
271 3CGD NAD 0.004288 0.43723 6.68605
272 3CGD FAD 0.004288 0.43723 6.68605
273 3CGD COA 0.004288 0.43723 6.68605
274 3GD4 NAD 0.007931 0.42381 6.68605
275 3GD4 FAD 0.005125 0.42315 6.68605
276 2HMT NAI 0.0005045 0.41344 6.94444
277 4XDY NAI 0.0002017 0.45323 6.97674
278 1CDO NAD 0.0009988 0.41925 6.97674
279 1LLU NAD 0.0007666 0.40162 7.01754
280 2GAG NAD 0.0005829 0.44446 7.07071
281 1J5P NAD 0.0004882 0.4349 7.11462
282 1DSS NAD 0.00007005 0.45837 7.20721
283 1A5Z NAD 0.0003775 0.45723 7.26744
284 3NJ4 NAD 0.003938 0.45299 7.26744
285 3LAD FAD 0.0008714 0.44306 7.26744
286 2XVF FAD 0.0009649 0.43568 7.26744
287 3NJ4 AFX 0.009772 0.43482 7.26744
288 1EBF NAD 0.0004289 0.42499 7.26744
289 1H2B NAJ 0.0002096 0.42298 7.26744
290 1I2B NAD 0.008025 0.41271 7.26744
291 2AHR NAP 0.0005565 0.42293 7.33591
292 1NV8 MEQ 0.001619 0.41483 7.39437
293 1NV8 SAM 0.001769 0.41483 7.39437
294 2Q0L NAP 0.003776 0.43272 7.3955
295 3OFK SAH 0.008532 0.4126 7.40741
296 1JAY NAP 0.001337 0.40241 7.54717
297 1X7D ORN 0.0004574 0.44868 7.55814
298 1X7D NAD 0.0002648 0.44678 7.55814
299 1LVL NAD 0.0008872 0.44531 7.55814
300 2XVE FAD 0.003202 0.43328 7.55814
301 4EDF UPG 0.004156 0.4199 7.55814
302 4D3F NAP 0.0002508 0.46472 7.74194
303 4MDH NAD 0.002942 0.40483 7.78443
304 1DXY NAD 0.00008048 0.4604 7.80781
305 5MDH NAD 0.003077 0.40408 7.80781
306 2JJQ SAH 0.005552 0.42881 7.84884
307 2X1L MET 0.02901 0.41086 7.84884
308 1KYQ NAD 0.00002689 0.43951 8.0292
309 2DC1 NAD 0.003771 0.40067 8.05085
310 2DFV NAD 0.00006441 0.4688 8.13953
311 4J56 FAD 0.005871 0.41105 8.13953
312 3EGI ADP 0.005597 0.44687 8.25243
313 4FWE FAD 0.0005467 0.45239 8.43023
314 3GFB NAD 0.0002722 0.44468 8.43023
315 5CAE COA 0.0007511 0.43746 8.43023
316 4C3Y FAD 0.001256 0.43553 8.43023
317 4C3Y ANB 0.004881 0.41614 8.43023
318 1V6A TRE 0.0001309 0.53751 8.43373
319 5VN0 NAI 0.002774 0.40857 8.68726
320 3SQP FAD 0.01125 0.44272 8.72093
321 3JV7 NAD 0.0007755 0.41803 8.72093
322 4E13 NAD 0.00001157 0.46844 8.83392
323 1VI2 NAD 0.0009213 0.4049 9
324 2PV7 NAD 0.0001787 0.45172 9.0604
325 3GGO ENO 0.0002884 0.46152 9.23567
326 3GGO NAI 0.0002884 0.46152 9.23567
327 2O4C NAD 0.00008236 0.46973 9.30233
328 1X14 NAD 0.00008535 0.41788 9.30233
329 1NPD NAD 0.002414 0.41684 9.375
330 3MB5 SAM 0.006891 0.40106 9.41177
331 3EGV SAH 0.004976 0.42334 9.52381
332 2CDU FAD 0.002297 0.41942 9.59302
333 2CDU ADP 0.0001431 0.41132 9.59302
334 4GUT FAD 0.001001 0.4446 9.67742
335 4HSU FAD 0.0009969 0.44271 9.67742
336 2FZW NAD 0.001944 0.42983 9.88372
337 4CNK FAD 0.001847 0.42549 9.88372
338 5JWC FAD 0.0005417 0.40252 9.88372
339 5H4I 7HQ 0.04811 0.41225 10.1124
340 4BV6 FAD 0.003633 0.41675 10.1744
341 1I8T FAD 0.006906 0.40342 10.1744
342 1F8F NAD 0.0006774 0.42159 10.4651
343 4ZGS NAD 0.0006731 0.418 10.4651
344 5BSH PRO 0.0007735 0.43309 10.8303
345 2HK9 NAP 0.0007088 0.425 10.9091
346 2Z3Y F2N 0.00119 0.43855 11.0465
347 1SAY PYR 0.002325 0.41683 11.3372
348 1GQ2 NAP 0.00231 0.4045 11.3372
349 1NVT NAP 0.001413 0.40697 11.4983
350 3OJO NAD 0.00008928 0.44693 11.6279
351 4II2 ATP 0.00007664 0.43537 11.6279
352 1SOW NAD 0.0004824 0.44115 11.8902
353 4OPC PGT 0.01582 0.42212 11.9186
354 4OPC FDA 0.01466 0.42074 11.9186
355 3B1F NAD 0.0001469 0.4364 12.069
356 3IHG FAD 0.0003341 0.44287 12.7907
357 1C3V NDP 0.001696 0.40078 13.4694
358 1H82 GZZ 0.00297 0.43538 14.2442
359 1H82 FAD 0.004969 0.42299 14.2442
360 3HVJ 705 0.001868 0.42417 14.9321
361 1O94 ADP 0.00009658 0.47367 15.3125
362 3Q3C NAD 0.00009107 0.45066 15.7191
363 5E4R NAP 0.0007188 0.42359 16.5698
364 4XDZ NDP 0.001818 0.41876 16.6181
365 1E6E FAD 0.002109 0.4209 17.1875
366 4KQW NAP 0.0003854 0.44776 24.1279
367 3QV1 NAD 0.0006024 0.43791 24.3902
368 1P1C SAH 0.0007803 0.4116 27.6382
369 3VPH OXM 0.0004435 0.40546 30
370 4YT5 H4M 0.008801 0.41198 30.5233
371 2V3B FAD 0.0007103 0.44101 36.3636
Pocket No.: 2; Query (leader) PDB : 4JJF; Ligand: FE9; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4jjf.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4JJF; Ligand: N2I; Similar sites found: 335
This union binding pocket(no: 3) in the query (biounit: 4jjf.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EB4 FAD 0.005306 0.4042 1.16279
2 1QO8 FAD 0.001182 0.43195 1.45349
3 2BRY FAD 0.001073 0.42308 1.45349
4 1VKO NAD 0.001108 0.41041 1.45349
5 1EZ4 NAD 0.0006064 0.43756 1.57233
6 3T31 DCQ 0.0008185 0.45026 1.74419
7 3T31 FAD 0.0007737 0.4496 1.74419
8 2WET FAD 0.000417 0.44871 1.74419
9 2BH9 NAP 0.009954 0.41561 1.74419
10 4XFR CIT 0.04058 0.40106 1.74419
11 4MP8 NAD 0.00256 0.4134 1.76991
12 4NTC FAD 0.001701 0.42467 1.79104
13 1LDN NAD 0.000392 0.4369 1.89873
14 2IXB NAD 0.00003752 0.4679 2.03488
15 1ZMD NAI 0.0004899 0.44461 2.03488
16 5M67 NAD 0.001417 0.43458 2.03488
17 5M67 ADE 0.001434 0.43438 2.03488
18 5M67 3D1 0.00149 0.43371 2.03488
19 2F5Z FAD 0.001287 0.4315 2.03488
20 2IXB A2G 0.00005747 0.42806 2.03488
21 1F8G NAD 0.002429 0.42595 2.03488
22 2NAD NAD 0.001076 0.42559 2.03488
23 4DMG SAM 0.01255 0.41815 2.03488
24 1PS9 FAD 0.004124 0.4095 2.03488
25 3C0G 3AM 0.01965 0.40848 2.03488
26 3ICR FAD 0.005056 0.40191 2.03488
27 3V1Y NAD 0.0001408 0.46267 2.07715
28 3KB6 NAD 0.000301 0.4321 2.09581
29 1I0Z NAI 0.001686 0.41156 2.1021
30 9LDT NAD 0.0004685 0.43398 2.10843
31 9LDB NAD 0.0004424 0.42849 2.10843
32 3LZW FAD 0.0005157 0.40067 2.10843
33 3F8D FAD 0.01951 0.40087 2.16718
34 3CTY FAD 0.001248 0.43302 2.19436
35 3OA2 NAD 0.0006468 0.43019 2.20126
36 4K28 NAD 0.0000697 0.47874 2.23048
37 5D4V SAH 0.000656 0.45017 2.23881
38 3DXY SAM 0.002057 0.45694 2.29358
39 1BZL FAD 0.002056 0.45335 2.32558
40 3ABI NAD 0.0002067 0.44586 2.32558
41 1MO9 KPC 0.00364 0.43639 2.32558
42 1XHC FAD 0.0007153 0.43368 2.32558
43 1MO9 FAD 0.004426 0.43221 2.32558
44 1R37 NAD 0.0007557 0.43022 2.32558
45 2GSD NAD 0.0009262 0.4281 2.32558
46 2VT3 ATP 0.000005261 0.42194 2.32558
47 2GV8 NDP 0.00267 0.41789 2.32558
48 2GVC FAD 0.001943 0.41323 2.32558
49 2E5V FAD 0.003727 0.41317 2.32558
50 1VQW FAD 0.002154 0.41153 2.32558
51 1PL6 572 0.002135 0.41039 2.32558
52 1PL6 NAD 0.000443 0.40345 2.32558
53 4YNU FAD 0.007507 0.40198 2.32558
54 1X87 NAD 0.0003169 0.41794 2.35935
55 4KOA NDP 0.005139 0.42542 2.4024
56 2F1K NAP 0.00001494 0.50125 2.50896
57 1JG3 ADN 0.01099 0.40689 2.55319
58 1GV0 NAD 0.001185 0.41733 2.58065
59 1GUZ NAD 0.001094 0.41555 2.58065
60 2AQJ TRP 0.002823 0.42893 2.60223
61 2AQJ FAD 0.002941 0.42893 2.60223
62 1GR0 NAD 0.00002064 0.49014 2.61628
63 5UAV NDP 0.00002697 0.48869 2.61628
64 5UAV TFB 0.00002697 0.48869 2.61628
65 2DKH FAD 0.0008855 0.42627 2.61628
66 2DKH 3HB 0.003182 0.41189 2.61628
67 3GDN FAD 0.005607 0.40613 2.61628
68 2EV9 NAP 0.001976 0.41166 2.6616
69 2EV9 SKM 0.001976 0.40052 2.6616
70 1CF2 NAP 0.0004207 0.42583 2.67062
71 1J49 NAD 0.0002094 0.44185 2.7027
72 1WP4 NDP 0.0004192 0.4406 2.76817
73 2CVZ NDP 0.0003912 0.42542 2.76817
74 1OMO NAD 0.00009701 0.43807 2.79503
75 2B9W FAD 0.007874 0.40914 2.83019
76 4RDH AMP 0.0000961 0.51061 2.90698
77 4D79 ATP 0.0001807 0.48755 2.90698
78 2WPF FAD 0.001704 0.45641 2.90698
79 2WPF WPF 0.002007 0.45477 2.90698
80 2CDC XYP 0.003147 0.4312 2.90698
81 2CDC NAP 0.004471 0.42483 2.90698
82 2CDC XYS 0.004471 0.42483 2.90698
83 4DSG FAD 0.004791 0.42225 2.90698
84 1REO FAD 0.001899 0.42067 2.90698
85 2VVM FAD 0.002411 0.41766 2.90698
86 5UAO FAD 0.002168 0.41732 2.90698
87 1N1G BCP 0.001864 0.41641 2.90698
88 2HQM FAD 0.003109 0.41533 2.90698
89 1U3U BNF 0.003691 0.41238 2.90698
90 4DSG UDP 0.008955 0.40962 2.90698
91 1P77 ATR 0.0005359 0.50364 2.94118
92 1NYT NAP 0.004545 0.40559 2.95203
93 3FZG SAM 0.01708 0.40449 3
94 5FUI APY 0.01133 0.40068 3.0303
95 2AG8 NAP 0.000008786 0.46171 3.04183
96 1LTH NAD 0.0002364 0.42446 3.1348
97 1ZQ9 SAM 0.0005185 0.46688 3.15789
98 2YVF NAD 0.001694 0.4403 3.19767
99 2YVF FAD 0.001636 0.4402 3.19767
100 1YKJ FAD 0.002301 0.4355 3.19767
101 4M52 FAD 0.0009894 0.43499 3.19767
102 4J36 1HR 0.001469 0.42922 3.19767
103 4J36 FAD 0.0008299 0.42734 3.19767
104 1OBB NAD 0.001616 0.42684 3.19767
105 3LXD FAD 0.002617 0.41073 3.19767
106 3FWN ATR 0.002726 0.40885 3.19767
107 4W6Z 8ID 0.003482 0.4071 3.19767
108 1ZH8 NAP 0.000795 0.41745 3.23529
109 4XB2 HSE 0.00301 0.40471 3.28358
110 4XB2 NDP 0.0008561 0.40246 3.28358
111 5T9F NAP 0.0008254 0.40054 3.32103
112 4YCA NDP 0.0006446 0.43651 3.40136
113 2I3G NAP 0.002178 0.4037 3.40909
114 4XZ3 COA 0.001652 0.4297 3.47826
115 1E5Q NDP 0.0003804 0.43902 3.48837
116 2B4R AES 0.0003827 0.4358 3.48837
117 2B4R NAD 0.0005168 0.43237 3.48837
118 1FEC FAD 0.001716 0.42942 3.48837
119 4EIP K2C 0.00364 0.41634 3.48837
120 4EIP FAD 0.003504 0.41518 3.48837
121 1RP0 AHZ 0.001477 0.41647 3.52113
122 2NXE SAM 0.005389 0.42091 3.54331
123 1CER NAD 0.0005166 0.44032 3.62538
124 1Y8Q ATP 0.0001089 0.47491 3.77907
125 3UCL NAP 0.002122 0.44035 3.77907
126 3UCL CYH 0.001935 0.44002 3.77907
127 3UCL FAD 0.001935 0.44002 3.77907
128 1U1I NAD 0.0005877 0.4344 3.77907
129 4NTD FAD 0.0009769 0.43082 3.77907
130 4AP3 NAP 0.003713 0.42546 3.77907
131 2C7G FAD 0.00565 0.41506 3.77907
132 5H81 NAP 0.005092 0.41224 3.77907
133 2C7G ODP 0.006969 0.41058 3.77907
134 4DPL NAP 0.002004 0.40873 3.77907
135 2QA1 FAD 0.0006177 0.40663 3.77907
136 4L8V NAP 0.002087 0.40807 3.85757
137 1RM4 NDP 0.002004 0.40073 3.85757
138 4JK3 NAD 0.00003784 0.46105 3.861
139 3L4S 3PG 0.00149 0.41764 3.86905
140 3L4S NAD 0.001489 0.41634 3.86905
141 1UXG NAD 0.0008048 0.43409 3.8835
142 1LDM NAD 0.001059 0.41916 3.95137
143 5OFW 9TW 0.0001675 0.53957 4.03587
144 2A92 NAI 0.0007828 0.42695 4.04984
145 1WDK NAD 0.00001836 0.4604 4.06977
146 3CIF G3H 0.0001845 0.45508 4.06977
147 3CIF NAD 0.0002102 0.44188 4.06977
148 4TSK NDP 0.0002914 0.43 4.06977
149 1MUU NAD 0.001164 0.42946 4.06977
150 1V59 FAD 0.001746 0.42818 4.06977
151 1GET FAD 0.004428 0.42566 4.06977
152 1GET NAP 0.004746 0.42566 4.06977
153 1MV8 NAD 0.0004398 0.42218 4.06977
154 1UP7 NAD 0.0005016 0.41706 4.06977
155 2Q1S NAI 0.004076 0.41163 4.06977
156 4KP7 NAP 0.006837 0.40619 4.06977
157 5FJN BE2 0.007562 0.40273 4.06977
158 5FJN FAD 0.006468 0.40273 4.06977
159 4KP7 1UQ 0.007472 0.40117 4.06977
160 3CMC NAD 0.009226 0.41229 4.19162
161 2RGO FAD 0.004798 0.4028 4.28336
162 1YJQ NAP 0.001934 0.41332 4.29043
163 5GZ6 NDP 0.001707 0.43598 4.29448
164 5GZ6 7C3 0.002581 0.4216 4.29448
165 1T26 NAI 0.0008899 0.43681 4.34783
166 1D1T NAD 0.002084 0.41079 4.36047
167 5O4J 9KH 0.001307 0.42109 4.37956
168 5O4J SAH 0.001307 0.42109 4.37956
169 5O4J PJL 0.001256 0.42047 4.37956
170 1J0X NAD 0.0002418 0.46029 4.51807
171 5AYV KPL 0.001381 0.42143 4.53074
172 5AYV NAP 0.0009229 0.40162 4.53074
173 2VYN NAD 0.0002465 0.4392 4.53172
174 1GAD NAD 0.0002643 0.4302 4.54545
175 3VYW SAM 0.00379 0.42093 4.54545
176 3WV8 ATP 0.0004052 0.46731 4.58716
177 5N53 8NB 0.0000347 0.57219 4.61538
178 4J4H NAI 0.0001999 0.4668 4.6332
179 4J4H 1J1 0.0001999 0.4668 4.6332
180 3H9E NAD 0.0001608 0.46038 4.65116
181 1SC6 NAD 0.0002264 0.44742 4.65116
182 1YY5 FAD 0.001068 0.43572 4.65116
183 1RSG FAD 0.001147 0.43246 4.65116
184 5KVS NAP 0.001182 0.43242 4.65116
185 4D04 NAP 0.004608 0.42295 4.65116
186 1P31 EPU 0.005114 0.42194 4.65116
187 5BUK FAD 0.004078 0.41255 4.65116
188 5U5G NAP 0.002186 0.40995 4.74576
189 3H8V ATP 0.00007041 0.41551 4.79452
190 2NU8 COA 0.001591 0.40261 4.86111
191 1M2W NAD 0.001396 0.43276 4.94186
192 5DN9 NAD 0.0001877 0.43254 4.94186
193 1D4D FAD 0.003039 0.41669 4.94186
194 4TM3 FAD 0.008195 0.41567 4.94186
195 3WGT QSC 0.007854 0.40459 4.94186
196 3WGT FAD 0.007494 0.40459 4.94186
197 2YYY NAP 0.0007874 0.42122 4.95627
198 2G5C NAD 0.0000582 0.46657 4.98221
199 3AD8 NAD 0.000817 0.42892 5.05051
200 5AHO TLA 0.01098 0.41911 5.05952
201 3BAZ NAP 0.00235 0.41716 5.1051
202 5T9E NAP 0.000298 0.43021 5.16605
203 3RNM FAD 0.001052 0.43497 5.17241
204 2HJR APR 0.001046 0.43801 5.18293
205 1O0S NAI 0.002341 0.42337 5.23256
206 5MQ6 NDP 0.004109 0.41314 5.23256
207 3SSO SAH 0.00404 0.40885 5.23256
208 2Y6Q FAD 0.002565 0.40736 5.23256
209 2Y6Q I7T 0.006094 0.40736 5.23256
210 3ZNN 4WL 0.01318 0.40064 5.23256
211 3ZNN FAD 0.01318 0.40064 5.23256
212 5JE8 NAD 0.00004329 0.48707 5.29801
213 4GKV NAD 0.002389 0.41105 5.35714
214 1HDG NAD 0.0007167 0.43795 5.42169
215 1BW9 NAD 0.0002952 0.46493 5.52326
216 2VHW NAI 0.0005006 0.43967 5.52326
217 1C1X NAD 0.0006578 0.43616 5.52326
218 5JCM NAD 0.002861 0.43293 5.52326
219 1HKU NAD 0.0005496 0.42507 5.52326
220 5JCM ISD 0.005844 0.41997 5.52326
221 5JCM FAD 0.005817 0.4194 5.52326
222 1BXG NAD 0.0005556 0.41914 5.52326
223 2RGJ FAD 0.003608 0.40296 5.52326
224 1NVM NAD 0.0005144 0.42659 5.76923
225 2RAB NAD 0.003755 0.42865 5.81395
226 2RAB FAD 0.001735 0.42733 5.81395
227 3UOY NAP 0.005057 0.42387 5.81395
228 4PLG NAI 0.001201 0.42616 5.98802
229 2GCG NDP 0.00314 0.40392 6.06061
230 5LD5 NAD 0.0004797 0.45215 6.10465
231 1KOL NAD 0.0005585 0.43783 6.10465
232 4BJZ P3A 0.01263 0.40889 6.10465
233 5L95 AMP 0.0005124 0.4628 6.25
234 2V3A FAD 0.001102 0.42877 6.39535
235 3KLJ FAD 0.002914 0.40651 6.39535
236 3WLE NAD 0.0002205 0.45343 6.45161
237 1HYH NAD 0.0009301 0.41664 6.47249
238 2DT5 NAD 0.0001444 0.45512 6.63507
239 4E5N NAD 0.000323 0.44009 6.66667
240 1V8B NAD 0.0008771 0.43025 6.68605
241 3CGD FAD 0.005629 0.42719 6.68605
242 3CGD COA 0.005629 0.42719 6.68605
243 3CGD NAD 0.005629 0.42719 6.68605
244 1DJN ADP 0.0001642 0.42415 6.68605
245 3GD4 NAD 0.01075 0.41354 6.68605
246 3GD4 FAD 0.007472 0.4115 6.68605
247 2HMT NAI 0.000597 0.40177 6.94444
248 4XDY NAI 0.0002438 0.45323 6.97674
249 1CDO NAD 0.001068 0.40872 6.97674
250 1LLU NAD 0.001147 0.4019 7.01754
251 2GAG NAD 0.0009291 0.43049 7.07071
252 1J5P NAD 0.0005783 0.43516 7.11462
253 1DSS NAD 0.00008527 0.44347 7.20721
254 1A5Z NAD 0.0004478 0.45723 7.26744
255 3NJ4 NAD 0.005382 0.44189 7.26744
256 3LAD FAD 0.001369 0.42942 7.26744
257 3NJ4 AFX 0.0133 0.42429 7.26744
258 1H2B NAJ 0.0003418 0.42297 7.26744
259 2XVF FAD 0.001492 0.4225 7.26744
260 1EBF NAD 0.0004994 0.41262 7.26744
261 1I2B NAD 0.008251 0.40758 7.26744
262 2AHR NAP 0.0005605 0.42956 7.33591
263 1NV8 MEQ 0.001924 0.40336 7.39437
264 1NV8 SAM 0.002378 0.40298 7.39437
265 2Q0L NAP 0.004324 0.43272 7.3955
266 3OFK SAH 0.009729 0.4126 7.40741
267 1X7D ORN 0.0003275 0.44806 7.55814
268 1LVL NAD 0.001041 0.44531 7.55814
269 1X7D NAD 0.0003096 0.4357 7.55814
270 4EDF UPG 0.002438 0.42421 7.55814
271 2XVE FAD 0.005229 0.41931 7.55814
272 4D3F NAP 0.0002619 0.46714 7.74194
273 4MDH NAD 0.003475 0.40483 7.78443
274 1DXY NAD 0.00009307 0.44587 7.80781
275 2JJQ SAH 0.006319 0.42881 7.84884
276 2X1L MET 0.03202 0.41086 7.84884
277 1KYQ NAD 0.00003219 0.42601 8.0292
278 2DFV NAD 0.00007902 0.45386 8.13953
279 4J56 FAD 0.008237 0.40037 8.13953
280 3EGI ADP 0.006295 0.44687 8.25243
281 3GFB NAD 0.0004143 0.44079 8.43023
282 4FWE FAD 0.0007637 0.44049 8.43023
283 5CAE COA 0.0008912 0.43746 8.43023
284 4C3Y FAD 0.00174 0.42428 8.43023
285 4C3Y ANB 0.007284 0.40424 8.43023
286 5CAE SIN 0.001463 0.40131 8.43023
287 1V6A TRE 0.0001507 0.53751 8.43373
288 5VN0 NAI 0.003269 0.40857 8.68726
289 3SQP FAD 0.01698 0.42996 8.72093
290 3JV7 NAD 0.001139 0.41797 8.72093
291 4E13 NAD 0.00001411 0.45342 8.83392
292 2PV7 NAD 0.0002171 0.45172 9.0604
293 3GGO NAI 0.0003778 0.4504 9.23567
294 3GGO ENO 0.0003778 0.4504 9.23567
295 2O4C NAD 0.0001216 0.45612 9.30233
296 1X14 NAD 0.0001012 0.40492 9.30233
297 1NPD NAD 0.002694 0.41773 9.375
298 3MB5 SAM 0.007982 0.40106 9.41177
299 3EGV SAH 0.005701 0.42334 9.52381
300 2CDU FAD 0.003349 0.40775 9.59302
301 4GUT FAD 0.001483 0.43196 9.67742
302 4HSU FAD 0.001443 0.43051 9.67742
303 2FZW NAD 0.002435 0.42051 9.88372
304 4CNK FAD 0.003402 0.40969 9.88372
305 5JWC FAD 0.0008355 0.40235 9.88372
306 4BV6 FAD 0.005203 0.40552 10.1744
307 1F8F NAD 0.0008427 0.40821 10.4651
308 4ZGS NAD 0.0007227 0.40762 10.4651
309 5BSH PRO 0.000872 0.42517 10.8303
310 2HK9 NAP 0.000785 0.41376 10.9091
311 2Z3Y F2N 0.002283 0.42162 11.0465
312 1SAY PYR 0.00287 0.40799 11.3372
313 1GQ2 NAP 0.003047 0.40442 11.3372
314 3OJO NAD 0.0001077 0.43342 11.6279
315 4II2 ATP 0.00009192 0.42121 11.6279
316 1SOW NAD 0.000637 0.43035 11.8902
317 4OPC PGT 0.01395 0.42029 11.9186
318 4OPC FDA 0.01512 0.41585 11.9186
319 3B1F NAD 0.0001757 0.42124 12.069
320 3IHG FAD 0.0004772 0.42906 12.7907
321 3H11 ALA ILE GLU THR ASA 0.01837 0.40994 12.9151
322 1C3V NDP 0.002298 0.40217 13.4694
323 1H82 GZZ 0.004452 0.4229 14.2442
324 1H82 FAD 0.007129 0.41164 14.2442
325 3HVJ 705 0.002514 0.41371 14.9321
326 1O94 ADP 0.0001168 0.47367 15.3125
327 3Q3C NAD 0.00009692 0.43792 15.7191
328 5E4R NAP 0.0009624 0.42359 16.5698
329 4XDZ NDP 0.002145 0.41876 16.6181
330 1E6E FAD 0.003227 0.40838 17.1875
331 4KQW NAP 0.0004266 0.43974 24.1279
332 3QV1 NAD 0.0007909 0.43623 24.3902
333 3VPH OXM 0.0004819 0.41084 30
334 4YT5 H4M 0.004977 0.42607 30.5233
335 2V3B FAD 0.00121 0.42604 36.3636
Pocket No.: 4; Query (leader) PDB : 4JJF; Ligand: N2I; 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: 4jjf.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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