Receptor
PDB id Resolution Class Description Source Keywords
4RNV 2.47 Å EC: 1.6.99.1 G303 CIRCULAR PERMUTATION OF OLD YELLOW ENZYME WITH THE INHI HYDROXYBENZALDEHYDE SACCHAROMYCES PASTORIANUS CIRCULAR PERMUTATION CATALYSIS OLD YELLOW ENZYME FLAVIN COXIDOREDUCTASE-INHIBITOR COMPLEX
Ref.: STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME ACS CATALYSIS V. 5 892 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HBA D:502;
B:502;
C:502;
A:502;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
122.121 C7 H6 O2 c1cc(...
FMN D:501;
B:501;
A:501;
C:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RNV 2.47 Å EC: 1.6.99.1 G303 CIRCULAR PERMUTATION OF OLD YELLOW ENZYME WITH THE INHI HYDROXYBENZALDEHYDE SACCHAROMYCES PASTORIANUS CIRCULAR PERMUTATION CATALYSIS OLD YELLOW ENZYME FLAVIN COXIDOREDUCTASE-INHIBITOR COMPLEX
Ref.: STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME ACS CATALYSIS V. 5 892 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4RNV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4RNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1OYB - HBA C7 H6 O2 c1cc(ccc1C....
2 1OYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1BWK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1OYA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4TMB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4TMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4RNV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1H60 Kd = 20 uM STR C21 H30 O2 CC(=O)[C@H....
2 3P7Y - P7Y C8 H7 N O3 c1ccc(c(c1....
3 1H50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3P67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3KFT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1VYP Kd = 0.07 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
7 3P74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1GVQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 5LGX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2ABA Kd = 0.7 uM STR C21 H30 O2 CC(=O)[C@H....
11 1VYS Kd = 0.24 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
12 1GVO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 3P81 - P81 C8 H7 N O3 c1cc(ccc1/....
14 5LGZ - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
15 3P62 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3P82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1GVR - TNL C7 H5 N3 O6 Cc1c(cc(cc....
18 1H63 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1H62 Kd = 17 uM ANB C19 H24 O2 C[C@]12CC[....
20 1GVS - TNF C6 H3 N3 O7 c1c(cc(c(c....
21 1H61 Kd = 13 uM PDN C21 H26 O5 C[C@]12CC(....
22 3P80 - P80 C8 H7 N O3 c1cc(cc(c1....
23 2ABB - IPA C3 H8 O CC(C)O
24 1VYR Kd = 5.4 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
25 1H51 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 2GQ9 - HBA C7 H6 O2 c1cc(ccc1C....
27 2GQ8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 2GOU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 2GQA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
30 2HS8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
31 2HS6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 3HGO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 2HSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
34 3HGS - PHB C7 H6 O3 c1cc(ccc1C....
35 1OYB - HBA C7 H6 O2 c1cc(ccc1C....
36 1OYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
37 1BWK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 1OYA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
39 4M5P - MLA C3 H4 O4 C(C(=O)O)C....
40 4TMB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
41 4TMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
42 1ICS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
43 3HGR - PHB C7 H6 O3 c1cc(ccc1C....
44 1ICP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
45 1ICQ - OPD C18 H28 O3 CCC=CC[C@@....
46 3ATY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
47 3ATZ - HBA C7 H6 O2 c1cc(ccc1C....
48 1Q45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
49 2Q3O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50 2R14 Kd = 0.63 mM TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
51 3GX9 - TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
52 1GWJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
53 1VJI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
54 2Q3R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
55 4JIQ Kd = 0.73 mM 1L5 C9 H9 N O2 C/C(=CN(=O....
56 4JIP - HBA C7 H6 O2 c1cc(ccc1C....
57 4JIC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
58 5N6G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
59 4QNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
60 4RNX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
61 4RNV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
62 4RNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
63 4A3U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HBA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 HBA 1 1
2 4VP 0.481481 0.733333
3 HQE 0.428571 0.857143
4 EN1 0.411765 0.619048
5 HC4 0.411765 0.764706
Ligand no: 2; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RNV; Ligand: HBA; Similar sites found: 109
This union binding pocket(no: 1) in the query (biounit: 4rnv.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.001881 0.48578 None
2 1UO4 PIH 0.001929 0.4743 None
3 1LNX URI 0.003219 0.41955 None
4 1TUV VK3 0.0301 0.40521 None
5 4CIB 7UZ 0.002392 0.43076 1.5
6 1U5V ATP 0.02462 0.42872 1.8315
7 3MAG 3MA 0.04431 0.40319 1.9544
8 3B8I OXL 0.0008446 0.49292 2.09059
9 3ZPG 5GP 0.002677 0.45763 2.09424
10 2XI7 XI7 0.002874 0.47574 2.17391
11 2WR1 NAG 0.0004012 0.47274 2.25
12 2ZWS PLM 0.005945 0.45851 2.25
13 4FFG LBS 0.01596 0.42845 2.25
14 4HA6 PXM 0.01091 0.40267 2.25
15 1PEA ACM 0.02743 0.40101 2.33766
16 4D1J DGJ 0.03664 0.41203 2.5
17 2YVF FAD 0.01839 0.4068 2.5
18 2YVF NAD 0.01906 0.4068 2.5
19 2EB5 OXL 0.01488 0.40205 2.62172
20 1DL7 NCH 0.04356 0.41095 2.67857
21 5D63 FUC GLA GLA 0.0145 0.40255 2.73038
22 4CUB GAL NAG 0.01381 0.43242 2.73224
23 1Y1A GSH 0.0182 0.42729 2.73224
24 2XDQ MGX 0.001768 0.46658 2.75
25 4RPM HXC 0.04726 0.40897 2.75
26 1B74 DGN 0.003524 0.44365 2.75591
27 4NAO AKG 0.01724 0.4047 2.76074
28 3BHO B4P 0.01417 0.42923 2.88462
29 2WGC SIA GAL BGC 0.02428 0.42501 2.92398
30 4RJK PYR 0.001148 0.49747 3
31 3CBG 4FE 0.007822 0.44269 3.01724
32 3CBG FER 0.02621 0.40822 3.01724
33 1WTC ACP 0.0216 0.40018 3.09598
34 2VWT PYR 0.001838 0.44931 3.37079
35 4XP7 FNR 0.003966 0.43752 3.46821
36 3L6R MLI 0.01246 0.41119 3.46821
37 3IHB TRS 0.001446 0.51923 3.5
38 3B0P FMN 0.002174 0.45777 3.71429
39 1JAC AMG 0.03328 0.40977 3.7594
40 3DX5 DHB 0.03382 0.4094 3.84615
41 3SBZ MLI 0.01122 0.42666 3.96825
42 4B16 NAG 0.03459 0.40889 4.13534
43 4JCA CIT 0.01853 0.42313 4.19162
44 3S9K CIT 0.004266 0.46259 4.23729
45 3WCS MAN NAG 0.006171 0.40792 4.33071
46 3R51 MMA 0.002921 0.45575 4.375
47 1Q11 TYE 0.005378 0.41038 4.56989
48 1H8P PC 0.01794 0.41649 4.58716
49 4LWM MHO 0.03683 0.41578 4.60829
50 4N7U 2JA 0.03604 0.40126 4.73684
51 4EXO PYR 0.026 0.40213 4.79452
52 3W8S GSH 0.01232 0.40042 4.85437
53 1XE7 GUN 0.02022 0.41388 4.92611
54 4Q3F TLA 0.01371 0.40363 5.12821
55 3I7S PYR 0.01077 0.42049 5.13699
56 1NF8 BOG 0.002251 0.44528 5.31401
57 3UBW 6SP 0.04542 0.40153 5.36398
58 3UEC ALA ARG TPO LYS 0.01991 0.40181 5.47945
59 3CL5 SIO 0.01614 0.40603 5.83554
60 1UUY PPI 0.009021 0.43139 5.98802
61 2J0W ASP 0.001449 0.45403 6
62 1PTR PRB 0.005167 0.42875 6
63 1RYI GOA 0.02103 0.42786 6.02094
64 4F8L GAL 0.009945 0.44629 6.2069
65 1RZM E4P 0.00687 0.42308 6.21302
66 2JFV FLC 0.008979 0.41177 6.52921
67 3F81 STT 0.02916 0.4059 6.55738
68 3VPD CIT 0.004651 0.45444 6.76157
69 3VPD BUA 0.01452 0.43759 6.76157
70 1TDF NAP 0.00881 0.4254 6.96203
71 1TDF FAD 0.01346 0.40357 6.96203
72 3QDV A2G 0.007823 0.43447 6.99301
73 3QDW A2G 0.01431 0.42139 6.99301
74 3QDY A2G GAL 0.01319 0.41629 6.99301
75 3QDV NDG 0.0143 0.41461 6.99301
76 3QDW NDG 0.0133 0.40989 6.99301
77 3QDT A2G GAL 0.02007 0.40754 6.99301
78 3QDY CBS 0.01788 0.40398 6.99301
79 1HQL GLA MBG 0.008307 0.41929 7.00389
80 4DN8 BMA 0.01217 0.40592 7.05128
81 1U3I GSH 0.01215 0.40067 7.109
82 3O03 GCO 0.03759 0.40033 7.2165
83 4A3X LAT 0.01017 0.42881 7.48899
84 1T3D CYS 0.01378 0.40918 7.61246
85 1G8S MET 0.006139 0.41907 7.82609
86 1JGS SAL 0.01535 0.43595 7.97101
87 1Y2W NAG 0.005792 0.42019 8.4507
88 2V5E SCR 0.007323 0.44418 8.5
89 3SQG COM 0.012 0.433 8.5
90 4M51 BEZ 0.01951 0.40813 8.5
91 2F7C CCU 0.007114 0.4106 8.58369
92 2W3L DRO 0.03445 0.40224 9.02778
93 1NU4 MLA 0.01709 0.4334 9.27835
94 3HZL 6PC 0.03225 0.40369 9.57179
95 2HVK TBA 0.01522 0.40163 9.58904
96 3BY8 MLT 0.01124 0.41325 9.85915
97 2YD6 FLC 0.02524 0.40867 11.3208
98 1G0V NAG 0.001922 0.49917 12.9032
99 4LO6 SIA GAL 0.0009567 0.46635 13.6842
100 1SS4 GSH 0.0002481 0.54175 13.7255
101 1SS4 CIT 0.003829 0.46178 13.7255
102 1BTN I3P 0.01558 0.4443 16.0377
103 2BZ1 TAU 0.04876 0.40822 19.3878
104 1Y7P RIP 0.02028 0.40733 27.8027
105 1Z42 FMN 0.0004962 0.49928 32.8402
106 1Z44 FMN 0.0007351 0.4855 32.8402
107 1Z41 FMN 0.0006045 0.48478 32.8402
108 1Z44 NPO 0.02094 0.46178 32.8402
109 1Z42 HBA 0.0203 0.43215 32.8402
Pocket No.: 2; Query (leader) PDB : 4RNV; Ligand: FMN; Similar sites found: 96
This union binding pocket(no: 2) in the query (biounit: 4rnv.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.001795 0.48578 None
2 1UO4 PIH 0.001837 0.4743 None
3 1LNX URI 0.004793 0.4114 None
4 1TUV VK3 0.02885 0.40521 None
5 4CIB 7UZ 0.002256 0.43076 1.5
6 4WBD CIT 0.02332 0.40346 1.5
7 2NCD ADP 0.009175 0.40489 2
8 3B8I OXL 0.0008025 0.49292 2.09059
9 2XI7 XI7 0.004 0.46685 2.17391
10 2ZWS PLM 0.01857 0.43047 2.25
11 4HA6 PXM 0.01035 0.40267 2.25
12 1PEA ACM 0.005957 0.43175 2.33766
13 2YVF NAD 0.01892 0.40851 2.5
14 2YVF FAD 0.01826 0.40851 2.5
15 1JN2 SFP 0.01339 0.42027 2.53165
16 1DL7 NCH 0.04731 0.40805 2.67857
17 9LDB OXM 0.0209 0.41945 2.71084
18 5D63 FUC GLA GLA 0.01379 0.40255 2.73038
19 1Y1A GSH 0.01753 0.42729 2.73224
20 2XDQ MGX 0.001679 0.46658 2.75
21 1B74 DGN 0.003605 0.44212 2.75591
22 3BHO B4P 0.03593 0.40711 2.88462
23 2WGC SIA GAL BGC 0.0327 0.41695 2.92398
24 4RJK PYR 0.001114 0.49704 3
25 3CBG FER 0.013 0.4225 3.01724
26 1HFA PIO 0.03262 0.40336 3.11419
27 2H6B 3C4 0.003108 0.40714 3.2
28 2VWT PYR 0.002303 0.44374 3.37079
29 4XP7 FNR 0.003457 0.43925 3.46821
30 3IHB TRS 0.00139 0.51923 3.5
31 3IHB GLU 0.008724 0.41731 3.5
32 2C31 TZD 0.02034 0.41243 3.5
33 2C31 ADP 0.01974 0.41243 3.5
34 2BO4 FLC 0.005193 0.42761 3.52645
35 3B0P FMN 0.001928 0.45921 3.71429
36 1JAC AMG 0.0009615 0.48886 3.7594
37 1V7R CIT 0.01448 0.42777 3.76344
38 3SBZ MLI 0.01167 0.42483 3.96825
39 4B16 NAG 0.03323 0.40889 4.13534
40 4JCA CIT 0.01248 0.43114 4.19162
41 3S9K CIT 0.004101 0.46259 4.23729
42 3R51 MMA 0.002564 0.45749 4.375
43 1Q11 TYE 0.006311 0.4065 4.56989
44 1H8P PC 0.02049 0.41265 4.58716
45 4LWM MHO 0.03568 0.41578 4.60829
46 4N7U 2JA 0.02388 0.40932 4.73684
47 2Q8H TF4 0.02857 0.40542 4.75
48 4EXO PYR 0.02539 0.40169 4.79452
49 1DXY COI 0.004629 0.44477 4.8048
50 1XE7 GUN 0.0222 0.41091 4.92611
51 2XRH NIO 0.01701 0.40401 5
52 3I7S PYR 0.01083 0.4194 5.13699
53 1NF8 BOG 0.003863 0.43349 5.31401
54 3UBW 6SP 0.006106 0.46144 5.36398
55 3CL5 SIO 0.01538 0.40603 5.83554
56 1UUY PPI 0.00877 0.431 5.98802
57 2J0W ASP 0.001421 0.4533 6
58 1RYI GOA 0.0197 0.43316 6.02094
59 4F8L GAL 0.01044 0.44415 6.2069
60 1RZM E4P 0.007412 0.42055 6.21302
61 2QLX RM4 0.0149 0.40665 6.48148
62 1GPJ CIT 0.009069 0.41058 6.5
63 2JFV FLC 0.01137 0.40626 6.52921
64 3F81 STT 0.02795 0.4059 6.55738
65 4A6F SEP 0.01763 0.4233 6.66667
66 3VPD CIT 0.004441 0.45444 6.76157
67 3VPD BUA 0.0249 0.42299 6.76157
68 1TDF NAP 0.005277 0.43645 6.96203
69 1TDF FAD 0.008124 0.41394 6.96203
70 3QDY A2G GAL 0.01333 0.41509 6.99301
71 3QDV NDG 0.0144 0.41348 6.99301
72 3QDW A2G 0.02507 0.40826 6.99301
73 3QDV A2G 0.0301 0.40428 6.99301
74 1HQL GLA MBG 0.01541 0.40598 7.00389
75 3O03 GCO 0.03607 0.40033 7.2165
76 4A3X LAT 0.01985 0.41334 7.48899
77 1G8S MET 0.00927 0.41016 7.82609
78 3SQG COM 0.01149 0.433 8.5
79 2V5E SCR 0.01498 0.42701 8.5
80 2W3L DRO 0.03304 0.40224 9.02778
81 1NU4 MLA 0.01641 0.4334 9.27835
82 2HVK TBA 0.01543 0.40038 9.58904
83 3BY8 MLT 0.0107 0.41325 9.85915
84 2YD6 FLC 0.008635 0.44807 11.3208
85 1G0V NAG 0.001844 0.49917 12.9032
86 1SS4 GSH 0.0002362 0.54175 13.7255
87 1SS4 CIT 0.003689 0.46178 13.7255
88 2OFE NAG 0.01233 0.4047 14.7887
89 2OFD NGA 0.01573 0.40002 14.7887
90 2X2T GAL NGA 0.02147 0.41163 15.6863
91 1BTN I3P 0.04545 0.40776 16.0377
92 1NME 159 0.02239 0.41072 18.4783
93 1Z42 FMN 0.0004993 0.49796 32.8402
94 1Z41 FMN 0.000573 0.48473 32.8402
95 1Z44 FMN 0.0007404 0.48418 32.8402
96 1Z42 HBA 0.01237 0.4443 32.8402
Pocket No.: 3; Query (leader) PDB : 4RNV; Ligand: FMN; Similar sites found: 28
This union binding pocket(no: 3) in the query (biounit: 4rnv.bio4) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SOW OXL 0.0233 0.40252 1.52439
2 3MAG 3MA 0.004974 0.44378 1.9544
3 4R33 TRP 0.01356 0.40664 2.25
4 4R33 SAH 0.01356 0.40664 2.25
5 1WTC ACP 0.009272 0.40831 3.09598
6 3TKA CTN 0.03297 0.41521 3.45821
7 4WVH ASP HIS ASP ALA HIS ALA 0.003582 0.40306 3.5
8 3U1T MLI 0.007279 0.413 3.55987
9 1RYD GLC 0.008601 0.40377 3.87597
10 1H8G CHT 0.02189 0.41918 4.21053
11 2XBP ATP 0.007853 0.42789 4.42478
12 3LTW HLZ 0.009459 0.40199 4.64286
13 2CW6 3HG 0.02574 0.40041 4.69799
14 1KO0 DLY 0.01318 0.40149 4.94118
15 3UEC ALA ARG TPO LYS 0.006105 0.4164 5.47945
16 3UDG TMP 0.004917 0.43537 5.98007
17 3PNA CMP 0.001645 0.41606 6.49351
18 2VMD MBG 0.02567 0.40047 6.61479
19 3QDW NDG 0.000733 0.45736 6.99301
20 3QDY CBS 0.0008017 0.45563 6.99301
21 3QDT A2G GAL 0.007018 0.42044 6.99301
22 1P9P SAH 0.006633 0.40447 8.42912
23 3U7Y FLC 0.04863 0.4018 8.73362
24 1ULE GLA GAL NAG 0.01736 0.40213 13.3333
25 1YOA FMN 0.008877 0.44018 15.0943
26 1XX4 BAM 0.01878 0.40709 18.7739
27 2BZ1 TAU 0.01174 0.43368 19.3878
28 1O9U ADZ 0.02458 0.40139 27.7778
Pocket No.: 4; Query (leader) PDB : 4RNV; Ligand: HBA; Similar sites found: 19
This union binding pocket(no: 4) in the query (biounit: 4rnv.bio4) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PDZ PGA 0.01967 0.4039 2.25
2 2PTZ PAH 0.01124 0.46107 2.75
3 1XHL TNE 0.04177 0.40744 3.0303
4 2ZJ3 G6P 0.009606 0.44509 3.2
5 1FDJ 2FP 0.03217 0.40475 3.30579
6 1H9G COA MYR 0.04355 0.4184 3.7037
7 4DXJ 0M9 0.02679 0.42624 4.14365
8 2EFJ SAH 0.006208 0.46411 4.16667
9 3CL7 HYN 0.0349 0.44101 4.22078
10 4GYW UDP 0.004536 0.47549 4.5
11 4G1V FAD 0.006237 0.47834 6.01504
12 2D37 FMN 0.01877 0.44573 6.81818
13 3QDX CBS 0.0225 0.41028 6.99301
14 2FPU HSO 0.02671 0.4249 7.95455
15 2WM1 13P 0.03156 0.41591 8.33333
16 2AEB ABH 0.03258 0.44194 9.62733
17 2WQP WQP 0.02544 0.40419 10.6017
18 2W1A TSA 0.008454 0.45563 11.1111
19 4UOH ADP 0.006291 0.43848 12.5828
Pocket No.: 5; Query (leader) PDB : 4RNV; Ligand: HBA; Similar sites found: 7
This union binding pocket(no: 5) in the query (biounit: 4rnv.bio3) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MG1 MAL 0.005981 0.46996 2.25
2 3SUC ATP 0.04872 0.44381 2.75
3 2DUA OXL 0.02301 0.44147 2.75862
4 1XHL NDP 0.004711 0.48791 3.0303
5 1FDJ 13P 0.03117 0.40508 3.30579
6 5YAS FAC 0.01524 0.43921 5.05837
7 2GDZ NAD 0.032 0.42625 8.98876
Pocket No.: 6; Query (leader) PDB : 4RNV; Ligand: FMN; Similar sites found: 7
This union binding pocket(no: 6) in the query (biounit: 4rnv.bio3) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ICV NAG 0.04759 0.4081 2.53165
2 2Q3M MLA 0.007536 0.4288 3.68098
3 1V5F TPP 0.04906 0.42423 5.5
4 1V5F FAD 0.04906 0.42423 5.5
5 1JGS SAL 0.01404 0.43186 7.97101
6 1SC3 MLI 0.0213 0.40024 13.6364
7 1Z44 NPO 0.001976 0.47758 32.8402
Pocket No.: 7; Query (leader) PDB : 4RNV; Ligand: HBA; Similar sites found: 17
This union binding pocket(no: 7) in the query (biounit: 4rnv.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WBD CIT 0.02597 0.40215 1.5
2 5A2J ALA PRO ASP THR ARG PRO 0.01784 0.41321 2.45902
3 1C1L GAL BGC 0.01532 0.40707 3.64964
4 3W9Z FMN 0.02497 0.40005 3.72671
5 1KC7 PPR 0.01003 0.41552 4
6 4W6Z ETF 0.0168 0.41791 4.03458
7 1DXY COI 0.03267 0.40341 4.8048
8 3UDG TMP 0.02276 0.41131 5.98007
9 1F1V DHY 0.006892 0.40106 6.19195
10 3GD8 BOG 0.02576 0.40232 6.27803
11 1GPJ CIT 0.00907 0.41158 6.5
12 4A6F SEP 0.006978 0.44527 6.66667
13 3WUC GLC GAL 0.01558 0.40116 7.29927
14 1T0S BML 0.01161 0.41894 12.7273
15 2OFE NAG 0.01156 0.40692 14.7887
16 2OFD NGA 0.01371 0.40363 14.7887
17 4F4S EFO 0.008068 0.40312 17.1053
Pocket No.: 8; Query (leader) PDB : 4RNV; Ligand: FMN; Similar sites found: 16
This union binding pocket(no: 8) in the query (biounit: 4rnv.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WKX FUB 0.01347 0.40301 1.75
2 1U5V ATP 0.02861 0.42352 1.8315
3 3ZPG 5GP 0.005934 0.43942 2.09424
4 5A2J ALA PRO ASP THR ARG PRO 0.002905 0.45058 2.45902
5 4RPM HXC 0.04273 0.41052 2.75
6 4O8A 2OP 0.01094 0.42623 3
7 3L6R MLI 0.01579 0.4055 3.46821
8 1C1L GAL BGC 0.01459 0.40707 3.64964
9 4W6Z ETF 0.01608 0.41791 4.03458
10 4Q3F TLA 0.01463 0.40141 5.12821
11 1F1V DHY 0.006497 0.40106 6.19195
12 3GD8 BOG 0.02464 0.40232 6.27803
13 3BLI PYR 0.01191 0.41112 6.82493
14 4M51 BEZ 0.004667 0.43679 8.5
15 3HZL 6PC 0.0294 0.40479 9.57179
16 4LO6 SIA GAL 0.006661 0.42598 13.6842
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