Receptor
PDB id Resolution Class Description Source Keywords
1M2Z 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A DIMER COMPLEX OF THE HUMAN GLUCOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN BOUND TO D EXAMETHASONE AND A TIF2 COACTIVATOR MOTIF HOMO SAPIENS GLUCOCORTICOID RECEPTOR DEXAMETHASONE TIF2 DIMER INTERFACE HORMONE BINDING POCKET CHARGE CLAMP COACTIVATOR HORMONE/HORMONE ACTIVATOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF THE GLUCOCORTICOID RECEPTOR LIGAND BINDING DOMAIN REVEALS A NOVEL MODE OF RECEPTOR DIMERIZATION AND COACTIVATOR RECOGNITION CELL(CAMBRIDGE,MASS.) V. 110 93 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOG A:501;
A:778;
A:779;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
292.369 C14 H28 O6 CCCCC...
DEX A:301;
D:401;
Valid;
Valid;
none;
none;
submit data
392.461 C22 H29 F O5 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M2Z 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A DIMER COMPLEX OF THE HUMAN GLUCOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN BOUND TO D EXAMETHASONE AND A TIF2 COACTIVATOR MOTIF HOMO SAPIENS GLUCOCORTICOID RECEPTOR DEXAMETHASONE TIF2 DIMER INTERFACE HORMONE BINDING POCKET CHARGE CLAMP COACTIVATOR HORMONE/HORMONE ACTIVATOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF THE GLUCOCORTICOID RECEPTOR LIGAND BINDING DOMAIN REVEALS A NOVEL MODE OF RECEPTOR DIMERIZATION AND COACTIVATOR RECOGNITION CELL(CAMBRIDGE,MASS.) V. 110 93 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1M2Z - DEX C22 H29 F O5 C[C@@H]1C[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 1M2Z - DEX C22 H29 F O5 C[C@@H]1C[....
2 3GN8 - DEX C22 H29 F O5 C[C@@H]1C[....
50% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 5JJM - DHT C19 H30 O2 C[C@]12CCC....
2 1T7M - DHT C19 H30 O2 C[C@]12CCC....
3 1T65 - DHT C19 H30 O2 C[C@]12CCC....
4 1T5Z - DHT C19 H30 O2 C[C@]12CCC....
5 2Q7K - TES C19 H28 O2 C[C@]12CC[....
6 4OKT - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
7 3V4A - PK1 C17 H14 Cl2 N2 O2 S C[C@]1(C(=....
8 1T7F - DHT C19 H30 O2 C[C@]12CCC....
9 1T74 - DHT C19 H30 O2 C[C@]12CCC....
10 3V49 ic50 = 9.6 nM PK0 C19 H14 F3 N3 O3 C[C@]1(C(=....
11 4OH5 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
12 4OKW - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
13 2Q7L - TES C19 H28 O2 C[C@]12CC[....
14 4OK1 - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
15 4OEZ - DHT C19 H30 O2 C[C@]12CCC....
16 3L3X - DHT C19 H30 O2 C[C@]12CCC....
17 1T73 - DHT C19 H30 O2 C[C@]12CCC....
18 2Q7I - TES C19 H28 O2 C[C@]12CC[....
19 4OEY - DHT C19 H30 O2 C[C@]12CCC....
20 1T7R - DHT C19 H30 O2 C[C@]12CCC....
21 2Q7J - TES C19 H28 O2 C[C@]12CC[....
22 2AO6 - R18 C19 H24 O2 C[C@@]1(CC....
23 4OFR - DHT C19 H30 O2 C[C@]12CCC....
24 3L3Z - DHT C19 H30 O2 C[C@]12CCC....
25 4OFU - DHT C19 H30 O2 C[C@]12CCC....
26 1T63 - DHT C19 H30 O2 C[C@]12CCC....
27 1XOW - R18 C19 H24 O2 C[C@@]1(CC....
28 1T76 - DHT C19 H30 O2 C[C@]12CCC....
29 4OKX - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
30 4OHA - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
31 1T79 - DHT C19 H30 O2 C[C@]12CCC....
32 4E2J - MOF C27 H30 Cl2 O6 C[C@@H]1C[....
33 4P6W Ki = 0.7 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
34 5UFS Ki = 3.2 nM 1TA C24 H31 F O6 C[C@]12C[C....
35 4UDB Ki = 0.18 nM CV7 C28 H38 O6 C[C@]12C[C....
36 4UDA Ki = 6.3 nM DEX C22 H29 F O5 C[C@@H]1C[....
37 1M2Z - DEX C22 H29 F O5 C[C@@H]1C[....
38 3K22 - JZS C22 H21 F6 N5 O3 Cc1cc(c2cn....
39 3MNO - DEX C22 H29 F O5 C[C@@H]1C[....
40 3E7C - 866 C23 H21 Cl2 F4 N5 O3 CCN(C[C@@]....
41 4P6X Ki = 91 nM HCY C21 H30 O5 C[C@]12CCC....
42 3MNP - DEX C22 H29 F O5 C[C@@H]1C[....
43 3MNE - DEX C22 H29 F O5 C[C@@H]1C[....
44 2A3I - C0R C21 H30 O4 C[C@]12CCC....
45 4UDC - DEX C22 H29 F O5 C[C@@H]1C[....
46 5G5W ic50 = 0.0027 uM R8C C24 H19 F4 N3 O2 C[C@@H]([C....
47 4CSJ ic50 = 4.9 nM NN7 C25 H27 F N4 O2 S Cc1cc(c(c(....
48 4UDD - CV7 C28 H38 O6 C[C@]12C[C....
49 5G3J ic50 = 63 nM E7T C22 H19 F5 N2 O3 CC[C@@H]1C....
50 3GN8 - DEX C22 H29 F O5 C[C@@H]1C[....
51 2OVH ic50 = 1 nM AS0 C28 H35 N O4 C[C@]12C[C....
52 4OAR ic50 = 0.038 nM 2S0 C30 H37 N O4 CC(=O)[C@]....
53 4LSJ ic50 = 4.38 nM LSJ C25 H25 N O4 S CC/C(=C/1c....
54 3BQD - DAY C30 H36 N2 O4 C[C@@H]1C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BOG; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 BOG 1 1
2 HSJ 1 1
3 BNG 1 1
4 KGM 0.976744 1
5 B7G 0.976744 1
6 GLC HEX 0.909091 0.975
7 HEX GLC 0.909091 0.975
8 JZR 0.909091 0.975
9 BHG 0.909091 0.975
10 AFO 0.886364 0.904762
11 DEG 0.76087 0.9
12 LMT 0.719298 0.952381
13 UMQ 0.719298 0.952381
14 LMU 0.719298 0.952381
15 DMU 0.719298 0.952381
16 DR4 0.637931 0.904762
17 XNS 0.637931 0.904762
18 FK9 0.607143 0.904762
19 GLA GAL GLC NBU 0.548387 0.880952
20 BHE 0.545455 0.930233
21 BGB 0.542857 0.930233
22 BGL 0.526316 1
23 EBG 0.509091 0.785714
24 EBQ 0.509091 0.785714
25 6UZ 0.507463 0.795455
26 OPM MAN MAN 0.507246 0.928571
27 BHG FUC 0.492537 0.930233
28 FUC BHG 0.492537 0.930233
29 4YA 0.492537 0.930233
30 AOG FUC 0.485714 0.78
31 FEE 0.480519 0.754717
32 GLA GAL BGC 5VQ 0.47619 0.833333
33 GM3 0.473684 0.769231
34 MA4 0.465753 0.833333
35 AGH 0.461538 0.754717
36 PBS 0.461538 0.754717
37 0SH 0.461538 0.754717
38 DA8 0.458333 0.930233
39 10M 0.457143 0.888889
40 RGG 0.454545 0.731707
41 CM5 0.452055 0.833333
42 SOG 0.45 0.883721
43 MAN MMA 0.440678 0.744186
44 MMA 0.44 0.756098
45 AMG 0.44 0.756098
46 MBG 0.44 0.756098
47 GYP 0.44 0.756098
48 AIG FUC 0.43662 0.78
49 MAL EDO 0.435484 0.744186
50 03F 0.433735 0.740741
51 HTG 0.433333 0.883721
52 AD7 0.432432 0.769231
53 BGA 0.428571 0.727273
54 GAL SPH NER 0.428571 0.754717
55 BGC GLA 0.423729 0.738095
56 GLA BGC 0.423729 0.738095
57 MAN BMA 0.423729 0.738095
58 GAL GAL 0.423729 0.738095
59 LAK 0.423729 0.738095
60 MLB 0.423729 0.738095
61 BMA GLA 0.423729 0.738095
62 GLA BMA 0.423729 0.738095
63 GLA GLC 0.423729 0.738095
64 1O2 0.421687 0.909091
65 MK0 0.421053 0.784314
66 TRE 0.42 0.738095
67 GLA EGA 0.419355 0.785714
68 3TF 0.416667 0.909091
69 DGD 0.416667 0.888889
70 JLS 0.413793 0.740741
71 DLG FUC 0.410959 0.930233
72 GLC GLC GLC GLC BGC 0.409836 0.738095
73 GLC GLC GLC GLC GLC BGC 0.409836 0.738095
74 SER MAN 0.409836 0.625
75 MAN MAN MAN 0.409836 0.738095
76 GLC GLC GLC 0.409836 0.738095
Ligand no: 2; Ligand: DEX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 DEX 1 1
2 3T5 0.776471 0.793103
3 1TA 0.6 0.836364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M2Z; Ligand: BOG; Similar sites found: 409
This union binding pocket(no: 1) in the query (biounit: 1m2z.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 0.0002665 0.5628 None
2 4OAS 2SW 0.0001105 0.55564 None
3 4HIA FMN 0.0006856 0.54186 None
4 2WOR 2AN 0.0002122 0.52545 None
5 1LNX URI 0.0004746 0.48709 None
6 1P0H ACO 0.01096 0.48227 None
7 5U3B 7TD 0.002862 0.47508 None
8 5N8V KZZ 0.003291 0.45565 None
9 5DLY 5D7 0.01279 0.44066 None
10 1T57 FMN 0.01569 0.42515 None
11 3F5O UOC COA 0.02171 0.41976 None
12 3WHB DCC 0.04293 0.41618 None
13 2W9S NDP 0.02293 0.41451 None
14 3R96 ACO 0.02996 0.4142 None
15 3R96 AMP 0.02996 0.4142 None
16 1R2Q GNP 0.003579 0.47886 0.588235
17 5K52 OCD 0.003638 0.4535 1.16732
18 2BW7 ECS 0.001006 0.47485 1.36986
19 2BW7 APC 0.0013 0.46027 1.36986
20 2OFW ADX 0.01066 0.44443 1.44231
21 5HR5 ADP 0.002099 0.46882 1.55642
22 1QY8 RDI 0.00458 0.46582 1.55642
23 5FAL SKT 0.02478 0.44705 1.55642
24 5FAL COA 0.02478 0.44705 1.55642
25 3HST MLR 0.007566 0.41699 1.55642
26 2PEZ GGZ 0.01103 0.4369 1.67598
27 2PEZ DAT 0.01103 0.4369 1.67598
28 2GFD RDA 0.008543 0.45741 1.69492
29 4ZVF GAV 0.00784 0.44908 1.74419
30 4M52 M52 0.0001985 0.54878 1.94553
31 2V2V V12 0.0235 0.44139 1.94553
32 3OTX AP5 0.01304 0.43794 1.94553
33 1QFY NAP 0.01836 0.40713 1.94553
34 1QFY FAD 0.01836 0.40713 1.94553
35 4QOM PYG 0.01809 0.40356 1.94553
36 1UJ2 ADP 0.02374 0.41179 1.98413
37 2WZV FMN 0.02256 0.44089 2.12766
38 3HOK Q80 0.001561 0.48958 2.14592
39 4UHL VFV 0.0009966 0.49152 2.33463
40 4G31 0WH 0.006038 0.47156 2.33463
41 4OKS 2T9 0.002524 0.4713 2.33463
42 3T58 FAD 0.006486 0.46843 2.33463
43 1D2N ANP 0.001127 0.4621 2.33463
44 5AZC PGT 0.01582 0.45605 2.33463
45 2IVN ANP 0.007391 0.448 2.33463
46 4PJT 2YQ 0.01617 0.42773 2.33463
47 3IL6 B83 0.02367 0.40714 2.33463
48 2J0V GDP 0.01017 0.41805 2.35849
49 2QHD DAO 0.001248 0.4852 2.45902
50 2GJ3 FAD 0.001381 0.49495 2.5
51 3CBG SAH 0.002466 0.47463 2.58621
52 1PZO CBT 0.0003883 0.55835 2.72374
53 5DEY 59T 0.005285 0.48848 2.72374
54 4XSU UDP 0.01001 0.46187 2.72374
55 4XSU GLC 0.01001 0.46187 2.72374
56 3VET TOY 0.02879 0.45243 2.72374
57 3VET CP 0.02401 0.45243 2.72374
58 3VET ADP 0.02401 0.45243 2.72374
59 2HKJ RDC 0.01712 0.43979 2.72374
60 3G5D 1N1 0.01629 0.43327 2.72374
61 3ZL8 ADP 0.01798 0.43078 2.72374
62 4CJX 9L9 0.01878 0.42005 2.72374
63 2PID YSA 0.01037 0.41783 2.72374
64 5IRR GSP 0.02195 0.41748 2.72374
65 2E3N 6CM 0.03717 0.41409 2.7451
66 3AL3 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.01416 0.43099 2.97872
67 3EWK FAD 0.0006827 0.50658 3.0837
68 3IA4 NDP 0.02848 0.41686 3.08642
69 1NHX FTB 0.007025 0.47751 3.11284
70 1NHX PEP 0.007254 0.47682 3.11284
71 1RX0 2MC 0.003426 0.47384 3.11284
72 2GMV UN8 0.004802 0.47277 3.11284
73 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.03327 0.45677 3.11284
74 5C2H 4PX 0.01386 0.45282 3.11284
75 3I51 6PL 0.01396 0.44892 3.11284
76 4RW3 SHV 0.001664 0.44765 3.11284
77 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.01812 0.43302 3.11284
78 5C2H 4XU 0.01741 0.4256 3.11284
79 4IXH IMP 0.03042 0.40961 3.11284
80 2JFN UMA 0.01627 0.40875 3.11284
81 3R1V AZB 0.02264 0.42409 3.14961
82 3WYJ H78 0.0006877 0.54349 3.16206
83 5LLT DND 0.02649 0.4386 3.28639
84 3QKD HI0 0.003542 0.4731 3.31492
85 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 0.04499 0.40122 3.3195
86 2D5Z L35 0.0099 0.49068 3.42466
87 5HPY GDP 0.01293 0.40672 3.44828
88 3ABA FLI 0.0004797 0.5308 3.50195
89 4EHU ANP 0.001714 0.49049 3.50195
90 3HR1 PF9 0.004587 0.47179 3.50195
91 3AHO 3A2 0.006123 0.44304 3.50195
92 5HTX ADP 0.004724 0.44206 3.50195
93 4JD3 COA 0.0234 0.4401 3.50195
94 4JD3 PLM 0.02483 0.4401 3.50195
95 3LN0 52B 0.02182 0.43678 3.50195
96 4J7N GTG 0.02467 0.42307 3.50195
97 3RDE OYP 0.01174 0.42251 3.50195
98 2P41 G1G 0.01123 0.40653 3.50195
99 4IEH 1E9 0.003208 0.47728 3.5503
100 1YRE COA 0.02647 0.41916 3.5533
101 4ZBA GDS 0.02911 0.42808 3.58744
102 4QVX 3CQ 0.001386 0.48453 3.59281
103 1Z4O GL1 0.006519 0.43805 3.61991
104 5SVV FMN 0.03579 0.41097 3.64964
105 1H9G COA MYR 0.006472 0.46541 3.7037
106 1U3G THF 0.0113 0.4232 3.7037
107 4QXR 1YE 0.00722 0.44619 3.7234
108 5IF4 6AK 0.0291 0.40465 3.77358
109 1M7G AV2 0.005169 0.46854 3.79147
110 1M7G ADX 0.009564 0.46701 3.79147
111 3LEO GSH 0.0009735 0.50563 3.87097
112 2Z6C FMN 0.0281 0.42268 3.87597
113 2FXU ATP 0.002086 0.54125 3.89105
114 4OYA 1VE 0.0008313 0.51139 3.89105
115 1NVM NAD 0.001834 0.49541 3.89105
116 1GNI OLA 0.03313 0.48353 3.89105
117 5DHU 5A8 0.01657 0.46108 3.89105
118 1EBL COA 0.01496 0.44077 3.89105
119 4YDU ADP 0.01338 0.43793 3.89105
120 4IIL RBF 0.00701 0.43279 3.89105
121 5BNS 4VM 0.02393 0.43053 3.89105
122 3ZEU AGS 0.0152 0.4265 3.89105
123 3ZEU ADP 0.01337 0.4265 3.89105
124 5F2T PLM 0.0368 0.41998 3.89105
125 5KDS A2G THR ALA PRO GLY GLY NAG SIA 0.03721 0.4142 3.89105
126 3SJH ATP 0.01324 0.41309 3.89105
127 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01704 0.41212 3.89105
128 5KOR GDP 0.03711 0.41053 3.89105
129 2C78 PUL 0.02897 0.4104 3.89105
130 3G58 988 0.04797 0.40024 3.89105
131 2RKN LP3 0.003245 0.45991 3.8961
132 1KDO C 0.0174 0.42043 3.96476
133 2H92 C5P 0.01179 0.42635 4.10959
134 4IS0 1R4 0.00305 0.48891 4.14938
135 4HBM 0Y7 0.003718 0.46815 4.16667
136 2FP2 TSA 0.01468 0.40272 4.21687
137 3RK1 ATP 0.02479 0.41612 4.21941
138 5KAU RHQ 0.01519 0.42606 4.24242
139 3B6C SDN 0.0001054 0.50245 4.2735
140 4EKQ NPO 0.005562 0.44949 4.27807
141 3CIP ATP 0.0009202 0.5255 4.28016
142 2BIF SIN 0.005814 0.47721 4.28016
143 2BIF ANP 0.004097 0.47721 4.28016
144 2BIF BOG 0.0008867 0.4669 4.28016
145 5CJH 522 0.007388 0.46213 4.28016
146 5K53 STE 0.002364 0.4578 4.28016
147 3QCP FAD 0.01015 0.43964 4.28016
148 1NP7 FAD 0.02475 0.41969 4.28016
149 4GFD 0YB 0.008468 0.43882 4.39024
150 3ANP DCC 0.002907 0.48898 4.41176
151 3ANP DAO 0.002768 0.48402 4.41176
152 3E85 BSU 0.001311 0.53359 4.43038
153 5B4B LP5 0.0003109 0.51618 4.43548
154 2VZZ SCA 0.007366 0.4535 4.58716
155 2J8C U10 0.01204 0.48297 4.66926
156 2J8C SPO 0.01204 0.48297 4.66926
157 1T27 PCW 0.00872 0.47921 4.66926
158 1YC4 43P 0.005155 0.46011 4.66926
159 3LLI FAD 0.007125 0.45364 4.66926
160 1X6V ADP 0.006249 0.45321 4.66926
161 1IHU AF3 0.004943 0.4485 4.66926
162 1IHU ADP 0.005271 0.4485 4.66926
163 4ORM FMN 0.02233 0.44296 4.66926
164 4ORM ORO 0.02233 0.44296 4.66926
165 4ORM 2V6 0.02233 0.44296 4.66926
166 5DB3 58Q 0.0159 0.42855 4.66926
167 4GUT FAD 0.01455 0.41345 4.66926
168 1DNP FAD 0.02797 0.41045 4.66926
169 4GUS FAD 0.02297 0.40425 4.66926
170 5GOE GDP 0.01632 0.40241 4.66926
171 5H81 NAP 0.03073 0.40115 4.66926
172 3ND6 ATP 0.012 0.41627 4.67836
173 4WT2 3UD 0.0001723 0.56869 4.7619
174 4OGN 2U5 0.003124 0.47822 4.7619
175 4INB 1F6 0.00271 0.44989 4.79452
176 4XOQ F42 0.006994 0.45843 4.83092
177 5KY3 GFB 0.002429 0.45184 5
178 4QWT ACD 0.0022 0.49293 5.05837
179 1OUK 084 0.01444 0.48279 5.05837
180 4OPC PGT 0.0173 0.47205 5.05837
181 3D9F N6C 0.01291 0.46303 5.05837
182 3D9F FAD 0.01291 0.46303 5.05837
183 3T6E UQ9 0.03238 0.4288 5.05837
184 2XMY CDK 0.04229 0.42357 5.05837
185 2WPX ACO 0.04109 0.40856 5.05837
186 3BGD PM6 0.03256 0.40315 5.05837
187 1U1I NAD 0.02336 0.4026 5.05837
188 4P8K 38C 0.03115 0.4263 5.20833
189 4B7P 9UN 0.02847 0.44409 5.21739
190 3NRR NAP 0.003311 0.5147 5.44747
191 3NRR D16 0.004243 0.50882 5.44747
192 3B99 U51 0.0009061 0.49163 5.44747
193 1BUC CAA 0.003012 0.47193 5.44747
194 4JZX 476 0.004236 0.44761 5.44747
195 3SSO SAH 0.00832 0.42051 5.44747
196 3HP9 CF1 0.01941 0.40386 5.44747
197 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.03204 0.42127 5.5
198 4KM2 TOP 0.006717 0.45527 5.58659
199 3N7H DE3 0.005622 0.47953 5.6
200 1WWZ ACO 0.02482 0.44123 5.66038
201 1QF9 ADP 0.03331 0.44281 5.6701
202 1QF9 ALF 0.03331 0.44281 5.6701
203 1QF9 C5P 0.03331 0.44281 5.6701
204 3REF GDP 0.01276 0.42835 5.6701
205 5DRB 5FJ 0.003047 0.50987 5.83658
206 2PX6 DH9 0.002333 0.47556 5.83658
207 5IBE 69M 0.00541 0.47361 5.83658
208 4M73 M72 0.006964 0.46137 5.83658
209 4M73 SAH 0.007545 0.45541 5.83658
210 3L9R L9Q 0.01122 0.44056 5.83658
211 1UUO FMN 0.03317 0.43235 5.83658
212 1UUO BRF 0.0347 0.43235 5.83658
213 1UUO ORO 0.03317 0.43235 5.83658
214 2JC9 ADN 0.01306 0.40609 5.83658
215 4YS0 ADP 0.0154 0.40507 5.83658
216 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.01277 0.43846 5.88235
217 3QYY C2E 0.02172 0.41229 5.98802
218 2Z6D FMN 0.02716 0.42079 6.15385
219 5LYH 7B8 0.04473 0.40618 6.21762
220 5L2J 6UL 0.003462 0.51052 6.22568
221 5L2J 70E 0.003623 0.51052 6.22568
222 5IR4 ZPE 0.003194 0.49816 6.22568
223 3VHZ L2P GLC MAN SGA 0.003696 0.49062 6.22568
224 3VHZ SOG 0.003518 0.48954 6.22568
225 1N83 CLR 0.003643 0.47358 6.22568
226 5HGR 45D 0.02156 0.44245 6.22568
227 3AR5 TM1 0.01464 0.42827 6.22568
228 2J07 FAD 0.04914 0.4212 6.22568
229 2J07 HDF 0.04914 0.4212 6.22568
230 3FC4 EDO 0.04547 0.41982 6.22568
231 1OQC FAD 0.0005926 0.52335 6.4
232 5B0W 22B 0.0006759 0.52195 6.61479
233 1YRB GDP 0.01005 0.42745 6.61479
234 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.0004504 0.49098 6.69456
235 2EV1 OLA 0.04188 0.4216 6.75676
236 1GHE ACO 0.004933 0.46954 6.77966
237 4MKF AP5 0.04911 0.42587 6.91244
238 4I4B NAD 0.02299 0.44592 7.00389
239 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.01829 0.44473 7.00389
240 5U98 1KX 0.04656 0.43194 7.00389
241 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.03654 0.43099 7.00389
242 1Z0S ATP 0.04955 0.42323 7.00389
243 4I4B 1CV 0.04122 0.41148 7.00389
244 4B4U NAP 0.04312 0.40817 7.00389
245 3CEV ARG 0.01772 0.40118 7.00389
246 2CER PGI 0.02216 0.4009 7.00389
247 4NB5 2JT 0.0003007 0.53488 7.01754
248 1DMH LIO 0.001332 0.52907 7.393
249 4WPF 3SN 0.003939 0.46549 7.393
250 2WPF FAD 0.03664 0.44942 7.393
251 4ONC 40B 0.01193 0.42502 7.39437
252 1Q2C COA 0.02755 0.40803 7.40741
253 4M7V NAP 0.03118 0.41626 7.42857
254 1HN4 MJI 0.03006 0.45629 7.63359
255 4JGX PLM 0.01806 0.42071 7.75194
256 4YDQ HFG 0.00009797 0.60706 7.7821
257 4YDQ ANP 0.0001015 0.60706 7.7821
258 5XDT ZI7 0.001669 0.51427 7.7821
259 4LH7 NMN 0.009452 0.41103 7.7821
260 2VBU CDP 0.03369 0.40882 8.08823
261 3B1M KRC 0.001498 0.50805 8.17121
262 2HFP NSI 0.001491 0.50598 8.17121
263 1XVB 3BR 0.0002569 0.50201 8.17121
264 4KWD JF2 0.001886 0.48792 8.17121
265 2QE0 NAP 0.007524 0.46465 8.17121
266 3G9E RO7 0.006362 0.45676 8.17121
267 3ET3 ET1 0.005768 0.45214 8.17121
268 3DST GRG 0.04639 0.44063 8.17121
269 5V3Y 5V8 0.004167 0.43224 8.17121
270 1XVB BHL 0.0474 0.42781 8.17121
271 2PRG BRL 0.009211 0.42756 8.17121
272 1S8G DAO 0.005614 0.43208 8.26446
273 3IS2 FAD 0.005375 0.45869 8.44156
274 3HF6 LX0 0.003999 0.48039 8.56031
275 1DB1 VDX 0.01519 0.44394 8.56031
276 2PX8 MGT 0.009425 0.4192 8.56031
277 1PL6 572 0.03014 0.40199 8.56031
278 4XIZ LPP 0.02611 0.42552 8.57143
279 3D72 FAD 0.007609 0.44611 8.72483
280 3R9C ECL 0.0328 0.41655 8.94942
281 3B96 MYA 0.02146 0.40028 8.94942
282 4D0N GDP 0.01028 0.40009 8.94942
283 5DKK FMN 0.03073 0.41441 8.96552
284 4YV5 SVR 0.0007373 0.57003 9.01639
285 3VGL ANP 0.0005323 0.51436 9.33852
286 3EE4 MYR 0.004114 0.46306 9.33852
287 4O6M C5P 0.00562 0.44111 9.33852
288 1KK8 BEF ADP 0.00923 0.42741 9.33852
289 4OKZ 3E9 0.01889 0.40033 9.33852
290 1S7N COA 0.02061 0.41811 9.34066
291 4MNS 2AX 0.00107 0.5118 9.43396
292 4F4P 0SB 0.003316 0.50937 9.52381
293 5K7H IVC 0.002588 0.45393 9.52381
294 2VG1 FPP 0.009495 0.40689 9.52381
295 2GK6 ADP 0.008309 0.40646 9.52381
296 3UC5 ATP 0.01137 0.40186 9.55414
297 3W54 RNB 0.02887 0.40898 9.72763
298 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.04918 0.40563 9.72763
299 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.04687 0.40893 9.76744
300 1JQ9 PHE LEU SER TYR LYS 0.0001169 0.57725 9.91736
301 1HBK MYR 0.001396 0.45593 10.1124
302 1K7L 544 0.001925 0.49235 10.1167
303 3KDU NKS 0.01904 0.42853 10.1167
304 3ET1 ET1 0.011 0.42085 10.1167
305 1JR8 FAD 0.0001736 0.55926 10.2564
306 4P3H 25G 0.008458 0.43686 10.3627
307 2QJY UQ2 0.009201 0.42621 10.5058
308 3GWN FAD 0.003182 0.47106 10.5263
309 3C88 ARG ARG GLY CYS NH2 0.01434 0.44367 10.8949
310 4UCC ZKW 0.001724 0.43347 11.1588
311 1N4H REA 0.002059 0.48375 11.284
312 4YSX E23 0.01279 0.42397 11.5385
313 1XRO LEU 0.01237 0.43466 11.6732
314 4LWU 20U 0.00006719 0.56401 11.7647
315 4XB4 45D 0.007543 0.45243 11.8421
316 1NQ7 ARL 0.001844 0.48282 11.8852
317 2PSJ CEI 0.01951 0.4208 12.0623
318 4RC8 STE 0.002599 0.46389 12.1622
319 4IBF 1D5 0.0004687 0.47572 12.4031
320 1YKI NFZ 0.003176 0.47287 12.4424
321 1YKI FMN 0.0037 0.46853 12.4424
322 1EE4 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.0006017 0.48656 12.4514
323 2EW5 Y12 0.01104 0.41282 12.7072
324 3T31 FAD 0.006243 0.47541 13.2296
325 3T31 DCQ 0.006564 0.47541 13.2296
326 2J1P GRG 0.00935 0.43355 13.2296
327 2QZT PLM 0.006991 0.43781 13.5135
328 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.0002183 0.55324 13.6187
329 3MBG FAD 0.0006351 0.52721 13.6691
330 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.005265 0.46218 14
331 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.005854 0.4726 14.1414
332 3G08 FEE 0.01794 0.45513 14.1414
333 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.03486 0.41492 14.1414
334 3U5S FAD 0.0007095 0.50867 14.2857
335 3P0K FAD 0.004768 0.46312 14.2857
336 4G9E C4L 0.01087 0.42462 14.2857
337 2Q2Y MKR 0.0421 0.42155 14.2857
338 2Q2Y ADP 0.04346 0.42155 14.2857
339 1H65 GDP 0.0104 0.40532 14.2857
340 1DIG NAP 0.04646 0.40396 14.3969
341 1DIG L37 0.0482 0.40396 14.3969
342 4DM8 REA 0.003013 0.4805 14.786
343 2LBD REA 0.004857 0.45925 14.786
344 4ELG 52J 0.003351 0.48323 15.0602
345 4ELG 52I 0.005254 0.4755 15.0602
346 3O55 FAD 0.0007882 0.5174 15.2
347 4EES FMN 0.02628 0.42249 15.6522
348 1FCZ 156 0.003561 0.47597 16.1702
349 3GYT DL4 0.0214 0.42369 18.8525
350 4KCF AKM 0.0003259 0.51386 19.0476
351 1F0X FAD 0.0392 0.43569 19.0476
352 5DJU FMN 0.04381 0.40128 19.6721
353 4QJR PIZ 0.004909 0.47504 21.6327
354 3BEJ MUF 0.004576 0.46321 22.2689
355 1YMT DR9 0.0006129 0.5409 22.3577
356 5UNJ RJW 0.003051 0.47321 23.2653
357 4OIV XX9 0.0001661 0.5413 23.4513
358 5LJ0 6XX 0.009501 0.46116 23.8095
359 5V49 8WA 0.013 0.43223 23.8095
360 1NRL SRL 0.003916 0.46002 24.1245
361 1M13 HYF 0.007962 0.45465 24.1245
362 1FM9 9CR 0.005489 0.45385 26.4706
363 1FM9 570 0.02236 0.41401 26.4706
364 1DKF BMS 0.0001465 0.55123 27.0386
365 4M8E 29V 0.003647 0.47628 27.2727
366 4POJ 2VP 0.004235 0.47206 27.2727
367 1YUC EPH 0.001296 0.51337 27.8431
368 5DJT FMN 0.03113 0.41605 27.8689
369 4MIB 28M 0.002348 0.5171 28.5714
370 1K6M AGS 0.002236 0.48266 28.5714
371 3ER9 3AT 0.003935 0.45911 28.5714
372 3G5N PB2 0.03523 0.44702 28.5714
373 3HUJ AGH 0.02702 0.43281 28.5714
374 4EIL NDP 0.02045 0.42328 28.5714
375 5LIA 6XN 0.04013 0.41826 28.5714
376 2ZYJ PGU 0.04163 0.41009 28.5714
377 3GF2 SAL 0.02287 0.40323 28.5714
378 1YYE 196 0.0038 0.4444 31.5175
379 5EFW FMN 0.03812 0.40633 31.6667
380 2I0G I0G 0.01041 0.46263 33.0739
381 4DV8 0LX 0.0036 0.49229 33.3333
382 4PFC 2QX 0.003477 0.47224 33.3333
383 1JWY GDP 0.005225 0.44254 33.3333
384 5EOB 5QQ 0.03083 0.42623 33.3333
385 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.04537 0.41882 33.3333
386 5IKH 6BW 0.02927 0.41368 33.3333
387 4H8N NDP 0.02311 0.41187 33.3333
388 4JF5 FLC 0.01198 0.40367 33.3333
389 1U3R 338 0.001732 0.484 33.61
390 2E2R 2OH 0.001104 0.52047 34.4262
391 1POC GEL 0.006283 0.43257 38.0952
392 3UR0 SVR 0.01168 0.43191 38.0952
393 1YP4 ADP 0.01552 0.41288 38.0952
394 1YP4 ADQ 0.02286 0.41241 38.0952
395 2QZO KN1 0.002697 0.46593 40.4669
396 2QA8 GEN 0.00684 0.41808 40.4669
397 2BJ4 OHT 0.0004841 0.52197 41.2698
398 3UUD EST 0.006772 0.42204 41.4343
399 5AAV GW5 0.001857 0.52333 41.6667
400 2QE4 JJ3 0.01126 0.46021 42.3387
401 3DLG GWE 0.003785 0.51439 42.8571
402 3AHQ FAD 0.003915 0.47066 42.8571
403 1EZV UQ6 0.006211 0.46398 42.8571
404 2IBZ UQ6 0.0066 0.4614 42.8571
405 1E8G FAD 0.03224 0.44127 42.8571
406 2X24 X24 0.03909 0.40958 42.8571
407 2FYU FDN 0.0006273 0.48916 47.619
408 4IA6 EIC 0.00496 0.44872 47.619
409 2ZKJ ADP 0.04383 0.40521 47.619
Pocket No.: 2; Query (leader) PDB : 1M2Z; Ligand: DEX; Similar sites found: 107
This union binding pocket(no: 2) in the query (biounit: 1m2z.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QQD AG2 0.01381 0.41553 None
2 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.01757 0.40176 None
3 2OHV NHL 0.01781 0.40552 1.55642
4 1YKD CMP 0.00323 0.40376 1.55642
5 3TL1 JRO 0.02001 0.40724 1.88679
6 5NJI 8Z2 0.007935 0.40601 2.33463
7 5D59 78M 0.01965 0.40479 2.33463
8 2Z9I GLY ALA THR VAL 0.01776 0.41418 2.46914
9 5DEY 59T 0.01091 0.40975 2.72374
10 2E3N 6CM 0.008696 0.41077 2.7451
11 3V66 D3A 0.006527 0.4241 3.11284
12 4GBD MCF 0.006732 0.40124 3.11284
13 1NF8 BOG 0.001358 0.47624 3.38164
14 3ZPG 5GP 0.009392 0.4204 3.50195
15 3LOO B4P 0.01421 0.40453 3.50195
16 2JAP J01 0.004476 0.43547 3.64372
17 1GNI OLA 0.03039 0.44261 3.89105
18 2A1L PCW 0.004305 0.43537 3.89105
19 3KC1 2T6 0.00187 0.41862 3.89105
20 3WCA FPS 0.008939 0.40647 4.28016
21 3TDC 0EU 0.006619 0.42225 4.66926
22 1TV5 N8E 0.02644 0.401 4.66926
23 3KYQ DPV 0.01127 0.42005 5.02513
24 2ZCQ B65 0.01141 0.41577 5.05837
25 3D9F N6C 0.01894 0.41195 5.05837
26 3D9F FAD 0.01894 0.41195 5.05837
27 4B7P 9UN 0.008252 0.4241 5.21739
28 3RV5 DXC 0.0003631 0.4002 5.61798
29 1UUO BRF 0.03264 0.4034 5.83658
30 1UUO FMN 0.03157 0.40275 5.83658
31 1UUO ORO 0.03157 0.40275 5.83658
32 3LXI CAM 0.006142 0.43602 6.22568
33 5AE2 FYC 0.02745 0.41481 6.22568
34 5AE2 FAD 0.02745 0.41481 6.22568
35 1N83 CLR 0.007455 0.40424 6.22568
36 2J07 FAD 0.02862 0.40193 6.22568
37 2J07 HDF 0.02862 0.40193 6.22568
38 5CSD ACD 0.005438 0.42344 6.91824
39 3Q8G PEE 0.01103 0.42385 7.00389
40 3WBG 2AN 0.005225 0.41483 7.18954
41 4WPF 3SN 0.00449 0.41379 7.393
42 5HZ9 5M8 0.001824 0.41966 8.14815
43 2P4Y C03 0.00005748 0.52871 8.17121
44 3G9E RO7 0.00008405 0.50227 8.17121
45 3ET3 ET1 0.0001 0.47681 8.17121
46 2PRG BRL 0.000143 0.4578 8.17121
47 4HEE 14R 0.003841 0.40978 8.17121
48 3B1M KRC 0.005822 0.40393 8.17121
49 3T03 3T0 0.00298 0.40016 8.17121
50 1DB1 VDX 0.0001693 0.48717 8.56031
51 3B9Z CO2 0.01867 0.41768 8.56031
52 3EE4 MYR 0.001878 0.42487 9.33852
53 3SFI 3SF 0.04887 0.40894 9.74576
54 1RL4 BL5 0.01925 0.40356 10.1064
55 3KDU NKS 0.0001812 0.50327 10.1167
56 3ET1 ET1 0.0006063 0.4352 10.1167
57 1K7L 544 0.003551 0.41979 10.1167
58 1EWF PC1 0.005129 0.4289 10.5058
59 4QEK GLC 0.01462 0.41459 10.5058
60 2VWA PTY 0.03355 0.40116 10.8911
61 4DS8 A8S 0.005199 0.41889 12.4514
62 2QZT PLM 0.01104 0.40109 13.5135
63 1HG4 LPP 0.0002727 0.47002 14.0078
64 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.03671 0.40523 14.1414
65 2Q2Y ADP 0.01214 0.41073 14.2857
66 2Q2Y MKR 0.01154 0.41073 14.2857
67 2LBD REA 0.00001073 0.52721 14.786
68 1XAP TTB 0.00002208 0.50455 14.786
69 4DM8 REA 0.00003429 0.50111 14.786
70 1FCZ 156 0.000009658 0.52696 16.1702
71 3GYT DL4 0.002075 0.42662 18.8525
72 4QJR PIZ 0.00003273 0.50828 21.6327
73 3KMR EQN 0.00001587 0.51628 22.179
74 3BEJ MUF 0.000008226 0.52763 22.2689
75 1YMT DR9 0.00006961 0.49773 22.3577
76 5UNJ RJW 0.0002833 0.44193 23.2653
77 1M13 HYF 0.000376 0.47025 24.1245
78 1NRL SRL 0.0009551 0.43536 24.1245
79 1YP0 PEF 0.0001083 0.47974 24.2678
80 1FBY REA 0.00001147 0.49247 26.3598
81 1FM9 9CR 0.000001246 0.55734 26.4706
82 1FM9 570 0.0011 0.44811 26.4706
83 1DKF BMS 0.000001691 0.55703 27.0386
84 1DKF OLA 0.00000417 0.50588 27.0386
85 4POJ 2VP 0.0000003936 0.58675 27.2727
86 4M8E 29V 0.000001719 0.55672 27.2727
87 3H0A 9RA 0.00000667 0.52009 27.6316
88 1YUC EPH 0.0001156 0.48256 27.8431
89 5LIA 6XN 0.04063 0.40364 28.5714
90 1PZL MYR 0.00005614 0.49801 29.1139
91 3FS1 MYR 0.0001376 0.45329 30
92 1YYE 196 0.00000001116 0.60136 31.5175
93 3IPQ 965 0.000004966 0.46656 31.9066
94 1XIU REA 0.000003988 0.52134 32.1739
95 2I0G I0G 0.000000059 0.66885 33.0739
96 1U3R 338 0.00000005556 0.59754 33.61
97 1G2N EPH 0.0005339 0.452 33.8521
98 2E2R 2OH 0.0000000004894 0.73909 34.4262
99 2QA8 GEN 0.00000000428 0.61762 40.4669
100 2QZO KN1 0.00000005177 0.60716 40.4669
101 2BJ4 OHT 0.00000002359 0.63018 41.2698
102 3UU7 2OH 0.0000000286 0.7057 41.4343
103 3UUA 0CZ 0.0000000384 0.67614 41.4343
104 3UUD EST 0.000000003588 0.61915 41.4343
105 5AAV GW5 0.0000001284 0.6583 41.6667
106 2QE4 JJ3 0.00000009426 0.66069 42.3387
107 3E3U NVC 0.0124 0.40138 42.8571
Pocket No.: 3; Query (leader) PDB : 1M2Z; Ligand: BOG; 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: 1m2z.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1M2Z; Ligand: DEX; 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: 1m2z.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1M2Z; Ligand: BOG; 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: 1m2z.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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