Receptor
PDB id Resolution Class Description Source Keywords
3KMZ 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF RARALPHA LIGAND BINDING DOMAIN IN COMPL THE INVERSE AGONIST BMS493 AND A COREPRESSOR FRAGMENT HOMO SAPIENS NUCLEAR RECEPTOR TRANSCRIPTION FACTOR LIGAND BINDING DOMAINBINDING METAL-BINDING NUCLEUS PHOSPHOPROTEIN PROTO-ONCORECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC-FINCHROMATIN REGULATOR REPRESSOR
Ref.: A UNIQUE SECONDARY-STRUCTURE SWITCH CONTROLS CONSTI GENE REPRESSION BY RETINOIC ACID RECEPTOR. NAT.STRUCT.MOL.BIOL. V. 17 801 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EQO A:2;
B:1;
Valid;
Valid;
none;
none;
submit data
404.5 C29 H24 O2 CC1(C...
GOL A:3;
A:422;
A:6;
A:7;
A:8;
B:4;
B:422;
B:5;
B:9;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KMZ 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF RARALPHA LIGAND BINDING DOMAIN IN COMPL THE INVERSE AGONIST BMS493 AND A COREPRESSOR FRAGMENT HOMO SAPIENS NUCLEAR RECEPTOR TRANSCRIPTION FACTOR LIGAND BINDING DOMAINBINDING METAL-BINDING NUCLEUS PHOSPHOPROTEIN PROTO-ONCORECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC-FINCHROMATIN REGULATOR REPRESSOR
Ref.: A UNIQUE SECONDARY-STRUCTURE SWITCH CONTROLS CONSTI GENE REPRESSION BY RETINOIC ACID RECEPTOR. NAT.STRUCT.MOL.BIOL. V. 17 801 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 3KMZ - EQO C29 H24 O2 CC1(CC=C(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 3KMZ - EQO C29 H24 O2 CC1(CC=C(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 3KMZ - EQO C29 H24 O2 CC1(CC=C(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EQO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EQO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KMZ; Ligand: EQO; 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: 3kmz.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KMZ; Ligand: EQO; Similar sites found: 143
This union binding pocket(no: 2) in the query (biounit: 3kmz.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LWU 20U 0.001278 0.45775 None
2 1UO5 PIH 0.01411 0.44613 None
3 4F4S EFO 0.006412 0.44234 None
4 4YV5 SVR 0.0157 0.42719 None
5 2VWA PTY 0.01947 0.42033 None
6 4AG9 COA 0.0213 0.40666 None
7 4NB5 2JT 0.005674 0.41577 1.16959
8 3WYJ H78 0.01754 0.40513 1.58103
9 3R9V DXC 0.04038 0.40294 1.8797
10 1GVE CIT 0.0375 0.40082 1.8797
11 2XMY CDK 0.02132 0.4008 1.8797
12 4V3I ASP LEU THR ARG PRO 0.03667 0.4062 1.94553
13 1FK5 OLA 0.003933 0.41279 2.15054
14 1TV5 N8E 0.01356 0.42521 2.25564
15 3WXL ADP 0.003218 0.46251 2.3166
16 3KU0 ADE 0.01423 0.42468 2.39044
17 3IA4 MTX 0.004331 0.43252 2.46914
18 4XNV BUR 0.01006 0.43596 2.63158
19 3W54 RNB 0.009607 0.41601 2.63158
20 1AUA BOG 0.0235 0.41258 2.63158
21 1A05 IPM 0.03088 0.40769 2.63158
22 1N13 AG2 0.03388 0.40694 2.65487
23 2QQC AG2 0.03087 0.40927 2.67857
24 2ZE3 AKG 0.0288 0.4088 3.00752
25 2PZI AXX 0.01969 0.40463 3.00752
26 3KYQ DPV 0.01109 0.42982 3.01508
27 1XVB 3BR 0.004173 0.44212 3.38346
28 4Q86 AMP 0.009881 0.41543 3.38346
29 2Z7I 742 0.02325 0.40154 3.52941
30 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.004131 0.4609 3.7594
31 4I3G BGC 0.01847 0.41381 3.7594
32 3BKR PLM 0.01128 0.41269 3.96825
33 3AQT RCO 0.01237 0.43366 4.08163
34 2BP1 FLC 0.00994 0.44635 4.13534
35 1BRW URA 0.02762 0.41133 4.15704
36 4OAS 2SW 0.001402 0.45584 4.16667
37 2W47 UNF 0.02157 0.41797 4.16667
38 3IX9 MTX 0.01458 0.40386 4.21053
39 3B6C SDN 0.0002901 0.51287 4.2735
40 4UCC ZKW 0.01805 0.42607 4.29185
41 3EYK EYK 0.005411 0.46062 4.51128
42 2WTN FER 0.01216 0.42315 4.51128
43 3B9Z CO2 0.03052 0.41199 4.51128
44 3OGN 3OG 0.004496 0.42391 4.83871
45 3G58 988 0.0006694 0.48176 5.26316
46 3CYI ATP 0.01956 0.41998 5.26316
47 3GWN FAD 0.00603 0.41124 5.26316
48 4JD3 COA 0.007208 0.40709 5.26316
49 4JMU 1ML 0.009822 0.43259 5.35714
50 2YLD CMO 0.005086 0.45366 5.51181
51 4MNS 2AX 0.005631 0.41611 5.66038
52 4P3H 25G 0.005415 0.41667 5.69948
53 5HCN DAO 0.01286 0.42643 5.74713
54 1SBR VIB 0.01621 0.42111 6
55 2Q8H TF4 0.02135 0.4104 6.01504
56 1L0I PSR 0.02233 0.40286 6.41026
57 5EW9 5VC 0.0369 0.40487 6.76692
58 4IHL 1F5 0.02151 0.40645 7.23404
59 1JGS SAL 0.02843 0.40038 7.24638
60 2P1C GG3 0.001972 0.41585 7.5188
61 4RW3 SHV 0.02432 0.41275 7.5188
62 4RW3 TDA 0.03109 0.41231 7.5188
63 5J32 IPM 0.02921 0.40924 7.5188
64 4IBF 1D5 0.007124 0.42221 7.75194
65 1XMY ROL 0.0009256 0.48041 7.89474
66 1XM4 PIL 0.00143 0.46024 7.89474
67 1XMU ROF 0.002494 0.44394 7.89474
68 5U98 1KX 0.01076 0.41109 8.08081
69 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.01681 0.40656 8.08081
70 5L2J 70E 0.01999 0.40385 8.16327
71 5L2J 6UL 0.01937 0.40324 8.16327
72 4B1V LAB 0.01935 0.40876 8.27068
73 3P7N FMN 0.007734 0.40975 8.52713
74 3TDC 0EU 0.000803 0.47103 8.64662
75 1NF8 BOG 0.00181 0.47985 9.66184
76 2ALG DAO 0.03956 0.40244 9.78261
77 3UP3 XCA 0.0000687 0.48216 10.2881
78 2CB8 MYA 0.02308 0.41566 10.3448
79 2QQD AG2 0.02146 0.41467 10.8434
80 3KO0 TFP 0.03746 0.41261 10.8911
81 1GNI OLA 0.03497 0.42554 12.782
82 5OCA 9QZ 0.000221 0.55527 13.4921
83 4OKD GLC GLC GLC 0.03214 0.40927 13.5338
84 5V4R MGT 0.0005344 0.50869 14.8148
85 4EES FMN 0.002308 0.42949 15.6522
86 1LNX URI 0.00337 0.46058 16.0494
87 2X5W K2B 0.002375 0.41262 16.1654
88 4I67 G G G RPC 0.006394 0.43286 17.2414
89 1Y75 NAG 0.02671 0.40553 19.4915
90 3BQD DAY 0.0001286 0.43835 22.3529
91 5HCV 60R 0.00014 0.48267 22.9572
92 2A3I C0R 0.00007516 0.44706 23.3202
93 3L1N PLM 0.03614 0.40263 25.7732
94 3GYT DL4 0.000006617 0.52403 28.2787
95 1YMT DR9 0.002061 0.41363 30.0813
96 1Y9Q MED 0.02935 0.4079 31.5789
97 4QJR PIZ 0.0004612 0.44089 33.8776
98 1ZDT PEF 0.002256 0.41059 34.4398
99 1YP0 PEF 0.0009888 0.438 35.1464
100 1YYE 196 0.00003198 0.53393 35.3383
101 1M13 HYF 0.0005765 0.4399 35.7143
102 1NRL SRL 0.001491 0.43778 35.7143
103 1PZL MYR 0.0007696 0.45884 35.865
104 2I0G I0G 0.00008208 0.4954 36.5759
105 3KP6 SAL 0.01312 0.43619 36.8421
106 2WME NAP 0.01127 0.40244 36.8421
107 1YUC EPH 0.001649 0.42204 36.8627
108 3FS1 MYR 0.0004295 0.40105 36.9565
109 3G9E RO7 0.000471 0.44623 37.9699
110 3T03 3T0 0.0000967 0.41387 37.9699
111 2HFP NSI 0.00146 0.40596 37.9699
112 2QA8 GEN 0.0001047 0.50944 37.9845
113 2QZO KN1 0.00003573 0.44693 37.9845
114 5UNJ RJW 0.00008164 0.42217 38.3673
115 3UUA 0CZ 0.00001867 0.55923 38.6454
116 3UU7 2OH 0.0006143 0.49579 38.6454
117 3UUD EST 0.000002626 0.46925 38.6454
118 1U3R 338 0.00001421 0.45843 39.0042
119 5AAV GW5 0.000007794 0.54306 39.2857
120 3BEJ MUF 0.00002484 0.46626 39.4958
121 2QE4 JJ3 0.00002494 0.51834 39.9194
122 3DCT 064 0.00001467 0.4856 40
123 2E2R 2OH 0.000005657 0.52497 40.5738
124 1FBY REA 0.00004136 0.49124 41.0042
125 3RUU 37G 0.00001563 0.4875 41.048
126 5ICK FEZ 0.0005983 0.45936 41.048
127 1FM9 9CR 0.0004895 0.4143 41.1765
128 1XIU REA 0.0002401 0.48187 41.7391
129 1TMX HGX 0.004325 0.41424 42.1053
130 4POJ 2VP 0.0002509 0.43588 42.4242
131 4M8E 29V 0.0002506 0.43167 42.4242
132 3H0A 9RA 0.0002853 0.41811 42.5439
133 1N83 CLR 0.004036 0.40629 43.985
134 4OIV XX9 0.00002738 0.42633 44.6903
135 4DK7 0KS 0.00001219 0.53473 45.3441
136 1YOK P6L 0.00008205 0.47961 45.7031
137 1NQ7 ARL 0.0008381 0.44871 46.7213
138 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.01217 0.42314 46.7213
139 3KDU NKS 0.002895 0.42827 47.3684
140 1K7L 544 0.00283 0.40958 47.3684
141 1DB1 VDX 0.00001956 0.50004 47.7444
142 3OKI OKI 0.003444 0.42189 48.0687
143 2BJ4 OHT 0.000001649 0.50152 48.8095
Pocket No.: 3; Query (leader) PDB : 3KMZ; Ligand: EQO; Similar sites found: 298
This union binding pocket(no: 3) in the query (biounit: 3kmz.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IYG FMN 0.0001311 0.47329 None
2 2FR6 URI 0.0001334 0.45102 None
3 2FR6 CTN 0.000276 0.43992 None
4 1WGC SIA GAL BGC 0.04061 0.4172 None
5 3MPI GRA 0.0001254 0.45392 0.75188
6 2R5T ANP 0.001529 0.40263 0.75188
7 1T26 GBD 0.003624 0.42551 1.50376
8 1T26 NAI 0.003624 0.42551 1.50376
9 3A2Y TS5 0.0006058 0.43237 1.52284
10 1O9U ADZ 0.002474 0.4737 1.8797
11 2ZJ5 ADP 0.0008473 0.46519 1.8797
12 1A27 EST 0.0003521 0.44579 1.8797
13 1Y42 TYR 0.003552 0.43185 1.8797
14 2NVK NAP 0.003798 0.4306 1.8797
15 2AQJ FAD 0.001008 0.42786 1.8797
16 2AQJ TRP 0.001535 0.42092 1.8797
17 4NM5 ADP 0.00004782 0.42058 1.8797
18 1KBI FMN 0.00016 0.41878 1.8797
19 1KBI PYR 0.00016 0.41878 1.8797
20 2BJK NAD 0.002899 0.40813 1.8797
21 2FOI JPA 0.008056 0.40725 1.8797
22 3K37 BCZ 0.009316 0.40477 1.8797
23 1X1T NAD 0.007969 0.4038 1.92308
24 3PJU C2E 0.0001498 0.41963 2.00803
25 2ZWS PLM 0.008629 0.46298 2.25564
26 2EB5 OXL 0.007083 0.42981 2.25564
27 1TV5 ORO 0.001055 0.42586 2.25564
28 3QV9 QV7 0.006584 0.42558 2.25564
29 4IMG NGF 0.001049 0.4155 2.25564
30 4L7I SAM 0.002119 0.41273 2.25564
31 4PB2 5UD 0.001772 0.41152 2.25564
32 1YBH FAD 0.00107 0.41034 2.25564
33 1TIW TFB 0.0009969 0.41017 2.25564
34 1TIW FAD 0.0009969 0.41017 2.25564
35 4O8A FAD 0.0006793 0.40633 2.25564
36 2NLI FMN 0.0042 0.40545 2.25564
37 1V6A TRE 0.02121 0.40286 2.25564
38 3FXU TSU 0.0003254 0.40283 2.25564
39 2ZB3 NDP 0.0007644 0.40183 2.25564
40 2NLI LAC 0.006708 0.40001 2.25564
41 4IXW IXW 0.002382 0.43383 2.3622
42 3MAG 3MA 0.003083 0.4779 2.63158
43 4CCO OGA 0.0008869 0.45779 2.63158
44 1WDA BAG 0.0006487 0.45738 2.63158
45 1BDB NAD 0.0006501 0.44162 2.63158
46 1KOL NAD 0.0004952 0.41729 2.63158
47 3I8P 840 0.002943 0.41157 2.63158
48 3OIG NAD 0.003329 0.41031 2.63158
49 1G0N PHH 0.001958 0.40414 2.63158
50 2G86 UMP 0.003758 0.40151 2.63158
51 1ULE GLA GAL NAG 0.009684 0.43592 2.66667
52 1XX4 BAM 0.005305 0.427 2.68199
53 2Y7P SAL 0.0006147 0.46464 2.75229
54 1ZK4 AC0 0.004817 0.41488 2.78884
55 1ZK4 NAP 0.004817 0.41488 2.78884
56 4COQ SAN 0.001509 0.46074 2.83401
57 1QY1 PRZ 0.00003277 0.42231 2.87356
58 1XE7 GUN 0.008566 0.44583 2.95567
59 4JHG ZEA 0.0003073 0.44798 2.97619
60 2V6O FAD 0.0003924 0.4506 3.00752
61 1Q11 TYE 0.002647 0.43736 3.00752
62 3LTW HLZ 0.004875 0.43729 3.00752
63 2Z9V PXM 0.003584 0.43169 3.00752
64 4WVH ASP HIS ASP ALA HIS ALA 0.002983 0.42975 3.00752
65 4FWE FAD 0.0004459 0.42685 3.00752
66 1LVL FAD 0.0006457 0.42167 3.00752
67 2F2U M77 0.003723 0.42083 3.00752
68 1I2L DCS 0.0008821 0.41808 3.00752
69 3OND ADN 0.001169 0.41724 3.00752
70 3OND NAD 0.001169 0.41724 3.00752
71 1A5Z OXM 0.0271 0.41361 3.00752
72 2C31 TZD 0.006983 0.40638 3.00752
73 1TDF NAP 0.007568 0.40458 3.00752
74 2C31 ADP 0.008208 0.40335 3.00752
75 3PVT 3HC 0.001755 0.4013 3.00752
76 1N6B DMZ 0.001859 0.40051 3.00752
77 1VF1 GSH 0.0002426 0.44189 3.05677
78 1EJE FMN 0.003007 0.40344 3.125
79 3UXL CFI 0.008622 0.41002 3.13316
80 1ZJ6 G3D 0.0001487 0.47113 3.20856
81 3BHO B4P 0.0318 0.42302 3.36538
82 1QO0 BMD 0.0007194 0.47554 3.38346
83 1PEA ACM 0.002436 0.46567 3.38346
84 1RZM E4P 0.002389 0.45849 3.38346
85 3SHR CMP 0.001075 0.44265 3.38346
86 2JBH 5GP 0.001948 0.43747 3.38346
87 1R6D DAU 0.0006471 0.42934 3.38346
88 1R6D NAD 0.0007935 0.42727 3.38346
89 1RZM PEP 0.004697 0.42663 3.38346
90 2YYJ 4HP 0.002741 0.42464 3.38346
91 2YYJ FAD 0.002741 0.42464 3.38346
92 4KCT PYR 0.004649 0.42171 3.38346
93 4KCT FDP 0.003098 0.41936 3.38346
94 1H6C NDP 0.000499 0.41843 3.38346
95 1RYD NDP 0.0005119 0.41808 3.38346
96 1H6C SIN 0.0009131 0.41252 3.38346
97 2ZJF BSU 0.00655 0.41089 3.38346
98 1QPB TPP 0.0004267 0.40618 3.38346
99 3TO7 COA 0.001944 0.40103 3.38346
100 1S8F GDP 0.006318 0.4031 3.38983
101 1Q0H NDP 0.003665 0.40101 3.44828
102 4TMK T5A 0.007007 0.4208 3.75587
103 3TKA CTN 0.003619 0.49997 3.7594
104 3O2K DST 0.003406 0.43264 3.7594
105 2Q1A 2KT 0.007454 0.42879 3.7594
106 3O2K QRP 0.005388 0.41433 3.7594
107 1K6M AGS 0.0008184 0.41148 3.7594
108 4GYW UDP 0.0005271 0.41111 3.7594
109 2EJU SAH 0.001866 0.41073 3.7594
110 1WVG CXY 0.0001847 0.40505 3.7594
111 4IZC 1GZ 0.003104 0.40467 3.7594
112 1V7R CIT 0.001059 0.5029 3.76344
113 2JGS BTN 0.003972 0.4325 3.84615
114 3ZPG 5GP 0.0009507 0.49513 3.9267
115 2C2A ADP 0.0006562 0.43112 4.13534
116 3JQ3 ADP 0.002388 0.42864 4.13534
117 3T31 DCQ 0.001478 0.4207 4.13534
118 3PXP MYR 0.0000149 0.41895 4.13534
119 4BG1 IVL 0.001446 0.40699 4.13534
120 4BG1 OGA 0.001446 0.40699 4.13534
121 4F8L GAL 0.01476 0.44975 4.13793
122 1ZS6 ADP 0.008783 0.41016 4.14201
123 3CF6 SP1 0.00021 0.45411 4.19162
124 1GEE NAD 0.000227 0.40201 4.21456
125 2YGN PCF 0.0002713 0.41532 4.48718
126 3P7I P7I 0.001235 0.45161 4.51128
127 2Y7G AAE 0.0004051 0.44353 4.51128
128 3I51 45C 0.00147 0.43208 4.51128
129 3FC4 EDO 0.002412 0.41119 4.51128
130 3GJB AKG 0.0091 0.40951 4.51128
131 4KS1 2H8 0.001748 0.40774 4.51128
132 1UXG NAD 0.001954 0.40096 4.51128
133 1UXG FUM 0.001954 0.40096 4.51128
134 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002407 0.40024 4.51128
135 1MZV AMP 0.01006 0.40333 4.68085
136 4PTZ FMN 0.0005778 0.43311 4.71204
137 1U7Z PMT 0.0008366 0.40634 4.86726
138 1CKM GTP 0.001457 0.44273 4.88722
139 4OYA 1VE 0.001417 0.44224 4.88722
140 3UEC ALA ARG TPO LYS 0.006438 0.43793 4.88722
141 2DTX BMA 0.001214 0.4086 4.88722
142 4AF0 IMP 0.002379 0.40715 4.88722
143 1ZK7 FAD 0.00335 0.4005 4.88722
144 3QDY A2G GAL 0.001968 0.47026 4.8951
145 3QDT A2G GAL 0.002005 0.46986 4.8951
146 3QDY CBS 0.005133 0.44263 4.8951
147 1EB9 HBA 0.0009661 0.43924 4.96183
148 1WVC CTP 0.01346 0.40113 5.01931
149 1ZZ7 S0H 0.002804 0.43628 5.05051
150 1KDK DHT 0.00004759 0.42245 5.08475
151 1G8S MET 0.01928 0.40969 5.21739
152 2NCD ADP 0.002355 0.44545 5.26316
153 1D6H COA 0.0002176 0.43688 5.26316
154 2XK9 XK9 0.0002716 0.42274 5.26316
155 2Q37 3AL 0.01216 0.41368 5.26316
156 3IU9 T07 0.004625 0.40477 5.26316
157 3OCZ SRA 0.002474 0.4103 5.34351
158 1VDC FAD 0.003309 0.40246 5.40541
159 1ECM TSA 0.001655 0.44042 5.50459
160 2Q09 DI6 0.005529 0.41856 5.52885
161 2VKL MLT 0.001474 0.49517 5.55556
162 3P3N AKG 0.001897 0.45616 5.6391
163 3S7O LBV 0.0001432 0.42686 5.6391
164 2IXB A2G 0.0006409 0.41622 5.6391
165 2AE2 PTO 0.001341 0.40833 5.6391
166 2AE2 NAP 0.001341 0.40833 5.6391
167 2WA4 069 0.006236 0.40741 5.6391
168 3D2Y AH0 ALA FGA LYS 0.002503 0.40624 5.6391
169 1SQ5 PAU 0.01609 0.40352 5.6391
170 4ASJ N6A 0.001311 0.40135 5.6391
171 1YOA FMN 0.006971 0.46823 5.66038
172 3CKZ ZMR 0.00129 0.40993 5.97403
173 4LWM MHO 0.04622 0.41158 5.99078
174 3F81 STT 0.03023 0.41736 6.01093
175 3I0O SMI 0.002715 0.44271 6.01504
176 4L1F COS 0.0001228 0.43404 6.01504
177 4HA6 FAD 0.000317 0.43162 6.01504
178 1TFZ 869 0.000425 0.42895 6.01504
179 1EXB NDP 0.004343 0.41297 6.01504
180 3I0O ADP 0.006742 0.41038 6.01504
181 2EWM NAD 0.0002267 0.4208 6.0241
182 3KJQ B94 0.0009903 0.43882 6.31579
183 1I0Z OXM 0.004145 0.46213 6.39098
184 1H82 GZZ 0.001037 0.42821 6.39098
185 1EYE PMM 0.004371 0.41349 6.39098
186 1H82 FAD 0.003032 0.41021 6.39098
187 1T8U UAP SGN IDS SGN 0.001455 0.405 6.76692
188 3ZEI AWH 0.0006793 0.40337 6.76692
189 1OLS TDP 0.002925 0.40149 6.76692
190 1WKL ATP 0.003467 0.40126 6.76692
191 1TUV VK3 0.02346 0.42311 7.01754
192 2Q2V NAD 0.0003899 0.41652 7.05882
193 2IZ1 ATR 0.001045 0.46809 7.14286
194 1A8S PPI 0.0009871 0.44147 7.14286
195 1EP2 ORO 0.00007483 0.44003 7.14286
196 4NE2 SH2 0.0004483 0.41735 7.14286
197 1EP2 FMN 0.0004556 0.40698 7.14286
198 4P4T GDP 0.00242 0.40676 7.14286
199 1EP2 FAD 0.0002125 0.4064 7.14286
200 2YVF NAD 0.006131 0.40271 7.14286
201 2YVF FAD 0.005855 0.40271 7.14286
202 2RHQ GAX 0.0002124 0.43056 7.5188
203 2PP3 LGT 0.002652 0.41751 7.5188
204 2Q1S NAI 0.001108 0.41411 7.5188
205 3WE0 FAD 0.002749 0.4014 7.5188
206 4AT0 FAD 0.003876 0.40021 7.5188
207 3RF4 FUN 0.003706 0.43106 7.75862
208 3TN7 NJP 0.00106 0.40047 7.7821
209 1FW1 GSH 0.006187 0.40345 7.87037
210 1F1V DHY 0.003014 0.42956 7.89474
211 1F3L SAH 0.0007561 0.4126 7.89474
212 2PT9 2MH 0.000638 0.41129 7.89474
213 2IMP NAI 0.009062 0.40519 7.89474
214 1GSA ADP 0.003262 0.40266 7.89474
215 1C1L GAL BGC 0.000857 0.47973 8.0292
216 1GJW GLC 0.0001727 0.51289 8.27068
217 1GJW MAL 0.009888 0.40363 8.27068
218 1H0C AOA 0.03784 0.40094 8.27068
219 2QLX RM4 0.00101 0.47633 8.33333
220 2OFE NAG 0.002605 0.44982 8.4507
221 1HDR NAD 0.003848 0.40117 8.60656
222 4LHM AZZ 0.0006193 0.47124 8.64662
223 1FIQ FAD 0.0002138 0.42595 8.64662
224 1RYI GOA 0.001124 0.41392 8.64662
225 4W6Z 8ID 0.0006787 0.41301 8.64662
226 3DG6 MUC 0.006169 0.4035 8.64662
227 4KQI RBZ 0.0004303 0.41235 8.70786
228 4KQI NIO 0.0004303 0.41235 8.70786
229 1MXI SAH 0.0004717 0.43174 8.75
230 4K30 NLG 0.005406 0.42399 8.75
231 4M51 BEZ 0.001025 0.48429 9.02256
232 4RJK PYR 0.006804 0.44354 9.02256
233 1GR0 NAD 0.004219 0.41461 9.02256
234 4RJK TPP 0.0003843 0.40327 9.02256
235 3KMT SAH 0.001278 0.42961 9.2437
236 1VE3 SAM 0.0007438 0.42478 9.2511
237 1QZZ SAM 0.001111 0.43194 9.3985
238 3BRE C2E 0.008623 0.42587 9.3985
239 2B7N NTM 0.01549 0.40898 9.3985
240 2RGH FAD 0.0008224 0.41508 9.77444
241 2ALG HP6 0.0001429 0.40326 9.78261
242 3BY8 MLT 0.001652 0.46614 9.85915
243 2QCX PF1 0.001167 0.45901 10.2662
244 3F8C HT1 0.0001649 0.49678 10.3175
245 2O66 FLC 0.006814 0.42491 10.3704
246 3IIS PID 0.005421 0.40902 10.596
247 4M5P MLA 0.0003186 0.53098 10.9023
248 4M5P 23W 0.006983 0.44298 10.9023
249 4M5P FMN 0.001757 0.40417 10.9023
250 3S9K CIT 0.005025 0.49452 11.0169
251 2XDQ MGX 0.00148 0.48521 11.2782
252 1E5F PLP 0.001716 0.42027 11.2782
253 1ME8 RVP 0.004394 0.41629 11.2782
254 2BLE 5GP 0.00508 0.4041 11.4441
255 3QQA TCH 0.0001334 0.40549 11.5741
256 3Q9T FAY 0.0002444 0.42941 11.6541
257 2YB9 HA0 0.000827 0.4023 12.0301
258 1GU3 BGC BGC BGC BGC BGC 0.005515 0.42362 12.0805
259 3R51 MMA 0.009566 0.44335 12.5
260 1W3R PYR 0.008553 0.4386 12.5
261 4NAT ADP 0.002504 0.42603 13.125
262 4NAT 2W5 0.0003099 0.42491 13.125
263 2C5S AMP 0.008361 0.41105 13.1579
264 2RL1 UD1 0.000588 0.40538 13.1579
265 3NFZ 3NF 0.001089 0.4372 13.5338
266 4CS4 ANP 0.001057 0.4082 13.8686
267 4CS4 AXZ 0.002199 0.40453 13.8686
268 4R33 TRP 0.0003438 0.4182 15.7895
269 4R33 SAH 0.0003438 0.4182 15.7895
270 2E1A MSE 0.005361 0.41912 16
271 3MD0 GDP 0.004538 0.42214 16.1654
272 1YRX FMN 0.0001754 0.46251 16.5289
273 3DER ALA LYS 0.0008184 0.41525 18.0451
274 3DGB MUC 0.0006097 0.44709 21.0526
275 2WCI GSH 0.01598 0.40837 21.8045
276 1SS4 GSH 0.009052 0.46814 26.3158
277 1KTC NGA 0.006856 0.41954 26.3158
278 1SS4 CIT 0.02812 0.40848 26.3158
279 1R27 MGD 0.001741 0.40025 26.3158
280 1QD0 RR6 0.008077 0.40299 26.5625
281 1T0S BML 0.003317 0.45902 26.7442
282 3GTD MLI 0.006862 0.42477 31.5789
283 4GQB 0XU 0.002056 0.41268 31.5789
284 4MP8 MLI 0.001886 0.40032 31.5789
285 4MP8 NAD 0.001886 0.40032 31.5789
286 2A2X NA9 0.003673 0.40038 32.3529
287 1Z44 NPO 0.002793 0.49068 36.8421
288 3U7Y FLC 0.00783 0.47398 36.8421
289 1Z44 FMN 0.001442 0.42761 36.8421
290 4E28 0MZ 0.01564 0.40879 36.8421
291 4E28 9MZ 0.02135 0.40763 36.8421
292 3NYQ AMP 0.0008451 0.4062 36.8421
293 2PVQ GSH 0.003404 0.40528 36.8421
294 1Z41 FMN 0.004391 0.40511 36.8421
295 3PLN U5P 0.01605 0.40358 42.1053
296 2O2C G6Q 0.005537 0.40137 42.1053
297 1T10 F6P 0.007548 0.42293 47.3684
298 3ICC NAP 0.0004417 0.41346 47.3684
Pocket No.: 4; Query (leader) PDB : 3KMZ; Ligand: EQO; Similar sites found: 102
This union binding pocket(no: 4) in the query (biounit: 3kmz.bio3) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1I0B PEL 0.006754 0.44269 1.12782
2 4C12 ADP 0.004513 0.40405 1.50376
3 2GDZ NAD 0.0005998 0.40983 1.8797
4 3Q3C NAD 0.003194 0.40914 1.8797
5 1REO FAD 0.001733 0.4067 1.8797
6 2ZO9 MLI 0.009915 0.40007 1.8797
7 1QDS PGA 0.003611 0.41985 1.99203
8 2OYS FMN 0.0001988 0.4046 2.06612
9 2WKQ FMN 0.001131 0.4454 2.25564
10 1TV5 A26 0.009889 0.42196 2.25564
11 1C0I FAD 0.002744 0.40617 2.25564
12 1C0I BE2 0.002744 0.40617 2.25564
13 3NKS FAD 0.00199 0.40254 2.25564
14 2RHW C0E 0.001134 0.43076 2.63158
15 3WBF NAP 0.000477 0.41136 2.63158
16 1X8D RNS 0.02483 0.40997 2.63158
17 1U5R ATP 0.004312 0.4039 2.63158
18 1OMZ UD2 0.00286 0.40369 2.63158
19 2JFV FLC 0.01489 0.4135 2.74914
20 1TDF FAD 0.0008473 0.42408 3.00752
21 3ROE THM 0.02027 0.41036 3.00752
22 3BW2 FMN 0.0008949 0.40446 3.00752
23 2R14 TXD 0.001236 0.40154 3.00752
24 4PPU TYR 0.004818 0.42466 3.38346
25 3LZW NAP 0.003338 0.41234 3.38346
26 1QPB PYM 0.0003734 0.41136 3.38346
27 1I2B NAD 0.003233 0.41055 3.38346
28 1I2B USQ 0.003233 0.41055 3.38346
29 1I2B UPG 0.003233 0.41055 3.38346
30 1SAY PYR 0.02057 0.40789 3.38346
31 1P4C FMN 0.006582 0.40684 3.38346
32 3LZW FAD 0.002137 0.40267 3.38346
33 3T1A 5MA 0.0001462 0.40225 3.38346
34 1ECC PCP 0.000478 0.40057 3.38346
35 2YC5 6BC 0.0004258 0.42147 3.50877
36 4B9E FAH 0.001647 0.4646 3.7594
37 2HHP FLC 0.001207 0.44389 3.7594
38 2J7T 274 0.0004258 0.41288 3.7594
39 2QV7 ADP 0.00437 0.40369 3.7594
40 3EE4 MYR 0.0002355 0.4009 3.7594
41 4OKS 2T9 0.02853 0.40272 4.13534
42 4IAE 1DX 0.005043 0.40039 4.2328
43 3A1I UNU 0.001183 0.43936 4.51128
44 3TFC PEP 0.002679 0.43558 4.51128
45 4G1V FAD 0.01602 0.4049 4.51128
46 4DXJ IPE 0.006453 0.40072 4.51128
47 1N9L FMN 0.001173 0.44471 4.58716
48 2YCD GTB 0.005608 0.40775 4.78261
49 4C0C WVH 0.002841 0.40474 4.88722
50 2XSB GDL 0.03106 0.40082 4.88722
51 1EDO NAP 0.004679 0.41331 4.91803
52 3V1U NAD 0.0007679 0.40021 4.97835
53 4LBP 1WG 0.009543 0.42713 5
54 2GJ3 FAD 0.0001348 0.40385 5
55 1Q3Q ANP 0.003748 0.40987 5.26316
56 3GWT 066 0.00006331 0.44163 5.6391
57 3GE7 AFQ 0.001427 0.40227 5.6391
58 3TL1 JRO 0.03075 0.40505 5.66038
59 1FL2 FAD 0.001793 0.4073 6.01504
60 1LDM NAD 0.005975 0.40703 6.01504
61 2HGZ PBF 0.0005153 0.40228 6.01504
62 2V0U FMN 0.001214 0.44403 6.16438
63 3T50 FMN 0.008586 0.40628 6.25
64 4DYO SD4 0.001655 0.43883 6.39098
65 2V7T SAH 0.01615 0.40252 6.39098
66 2YPO PHE 0.0004624 0.41332 6.76692
67 2GSD NAD 0.0009035 0.41109 6.76692
68 4PNI KQQ 0.0004477 0.4108 6.76692
69 4CMF PXG 0.00277 0.40957 6.76692
70 2QA1 FAD 0.001482 0.40427 6.76692
71 2Z6D FMN 0.002362 0.4312 6.92308
72 2Z6C FMN 0.002272 0.43195 6.97674
73 3ZRR PXG 0.0001567 0.40256 7.5188
74 3V91 UPG 0.00156 0.40075 7.5188
75 1JUV NDP 0.0003646 0.41167 7.77202
76 1UF5 CDT 0.001168 0.43958 7.89474
77 2C7G FAD 0.001653 0.42129 8.64662
78 1RYI FAD 0.001867 0.40979 8.64662
79 2C7G ODP 0.004234 0.40655 8.64662
80 3GXO MQA 0.02571 0.40505 8.64662
81 1FIQ MTE 0.0009631 0.40347 8.64662
82 1FIQ SAL 0.001286 0.40236 8.64662
83 2V57 PRL 0.03021 0.40876 8.94737
84 4WX0 HXD 0.003607 0.43067 9.5057
85 2BH9 NAP 0.004091 0.40475 10.5263
86 2FYU FDN 0.001017 0.41837 10.7143
87 3PNL ADP 0.000146 0.41311 10.9023
88 1SJW NGV 0.00399 0.40515 11.1111
89 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.002847 0.40875 11.2782
90 4R38 RBF 0.004234 0.41646 11.4286
91 4G87 UD1 0.003443 0.40335 12.0301
92 3D3W NAP 0.0009226 0.40822 12.406
93 1PR9 NAP 0.001198 0.40466 12.406
94 1V5F TPP 0.04175 0.40198 13.1579
95 1V5F FAD 0.04175 0.40198 13.1579
96 1DLJ UGA 0.001318 0.42043 14.6617
97 1DLJ NAI 0.001375 0.41981 14.6617
98 1H9G COA MYR 0.0006975 0.40314 23.8683
99 2XCG XCG 0.0001488 0.42853 31.5789
100 2RDT 2RD 0.002069 0.42449 31.5789
101 3FPZ AHZ 0.005091 0.4167 36.8421
102 1FM9 570 0.005499 0.40225 41.1765
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