Receptor
PDB id Resolution Class Description Source Keywords
1DCP 2.3 Å EC: 4.2.1.96 DCOH, A BIFUNCTIONAL PROTEIN-BINDING TRANSCRIPTIONAL COACTIVATOR, COMPLEXED WITH BIOPTERIN RATTUS NORVEGICUS TRANSCRIPTIONAL STIMULATOR DIMERIZATION COFACTOR DEHYDRATASE 4A-CARBINOLAMINE DEHYDRATASE TRANSREGULATOR OF HOMEODOMAIN PROTEINS
Ref.: HIGH-RESOLUTION STRUCTURES OF THE BIFUNCTIONAL ENZYME AND TRANSCRIPTIONAL COACTIVATOR DCOH AND ITS COMPLEX WITH A PRODUCT ANALOGUE. PROTEIN SCI. V. 5 1963 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HBI A:105;
B:105;
C:105;
D:105;
E:105;
F:105;
G:105;
H:105;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
239.231 C9 H13 N5 O3 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DCP 2.3 Å EC: 4.2.1.96 DCOH, A BIFUNCTIONAL PROTEIN-BINDING TRANSCRIPTIONAL COACTIVATOR, COMPLEXED WITH BIOPTERIN RATTUS NORVEGICUS TRANSCRIPTIONAL STIMULATOR DIMERIZATION COFACTOR DEHYDRATASE 4A-CARBINOLAMINE DEHYDRATASE TRANSREGULATOR OF HOMEODOMAIN PROTEINS
Ref.: HIGH-RESOLUTION STRUCTURES OF THE BIFUNCTIONAL ENZYME AND TRANSCRIPTIONAL COACTIVATOR DCOH AND ITS COMPLEX WITH A PRODUCT ANALOGUE. PROTEIN SCI. V. 5 1963 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DCP - HBI C9 H13 N5 O3 C[C@@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DCP - HBI C9 H13 N5 O3 C[C@@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DCP - HBI C9 H13 N5 O3 C[C@@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HBI; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 HBI 1 1
2 44W 0.519231 0.816667
3 PH2 0.464286 0.852459
4 ZSP 0.45 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DCP; Ligand: HBI; 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: 1dcp.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DCP; Ligand: HBI; Similar sites found: 91
This union binding pocket(no: 2) in the query (biounit: 1dcp.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NYR SVR 0.01546 0.4489 None
2 2FWP ICR 0.005009 0.42829 None
3 1IYB 5GP 0.008295 0.41354 None
4 4CQM NAP 0.02858 0.40829 None
5 5MW8 ATP 0.02676 0.40708 None
6 4R74 F6P 0.01591 0.4068 None
7 2EW1 GNP 0.02805 0.40402 None
8 2ZB3 NDP 0.02512 0.41807 2.88462
9 1G0N NDP 0.01833 0.41695 2.88462
10 1G0N PHH 0.02277 0.41386 2.88462
11 1TDF FAD 0.03827 0.40588 2.88462
12 1HEX NAD 0.04948 0.40565 2.88462
13 3JYN NDP 0.04953 0.40534 2.88462
14 3QWI NAP 0.01943 0.4026 2.88462
15 3QWI CUE 0.0272 0.4026 2.88462
16 2PT9 S4M 0.006304 0.43334 3.84615
17 1GSA GSH 0.00571 0.42972 3.84615
18 2PT9 2MH 0.0117 0.42673 3.84615
19 3L9W AMP 0.01246 0.42583 3.84615
20 4EUU BX7 0.01837 0.41604 3.84615
21 1YVD GNP 0.02618 0.41463 3.84615
22 3L9W GSH 0.01578 0.41175 3.84615
23 2Q4H AMP 0.02537 0.4106 3.84615
24 1FFU CDP 0.002883 0.4615 4.80769
25 3FC4 EDO 0.01417 0.4339 4.80769
26 4MS4 2C0 0.01166 0.42102 4.80769
27 2D4V NAD 0.02703 0.4183 4.80769
28 4BV6 FAD 0.03731 0.41042 4.80769
29 4N9I PCG 0.01938 0.4371 5.76923
30 1YQZ FAD 0.01904 0.44593 6.73077
31 3NYC FAD 0.03015 0.42532 6.73077
32 2GKS ADP 0.01122 0.41558 6.73077
33 2HMT NAI 0.02251 0.40449 6.73077
34 1EK0 GNP 0.04083 0.40445 6.73077
35 1UH4 BGC BGC GLC 0.006828 0.42575 7.69231
36 1Q8P MAN MMA 0.009966 0.4158 7.69231
37 4HSU FAD 0.0451 0.41385 7.69231
38 4FWE FAD 0.04363 0.41373 7.69231
39 4GUT FAD 0.04814 0.41359 7.69231
40 2PHX MAN MAN 0.008605 0.41232 7.69231
41 4GUS FAD 0.04967 0.41057 7.69231
42 2PHF MAN MAN 0.01205 0.40994 7.69231
43 1UKG MMA 0.008743 0.40775 7.69231
44 1Q8O MAN MMA 0.01112 0.40623 7.69231
45 1Q8V MAN MAN 0.01077 0.40586 7.69231
46 2PHU MAN MAN 0.01079 0.4056 7.69231
47 2PHU MAN MAN MAN BMA MAN 0.01595 0.40558 7.69231
48 5MBX FAD 0.04022 0.42341 8.65385
49 5MBX SP5 0.04022 0.42341 8.65385
50 3KLJ FAD 0.02476 0.42182 8.65385
51 1BVY FMN 0.02157 0.40835 8.65385
52 1RF6 S3P 0.02292 0.4034 8.65385
53 1KQF MGD 0.04153 0.4012 8.65385
54 2NU8 COA 0.02581 0.40057 8.65385
55 4CM9 NAP 0.03357 0.40017 8.65385
56 5K6A NAP 0.03013 0.40011 8.65385
57 4MAF ADX 0.009644 0.42256 9.61539
58 2WTX VDO 0.04204 0.41238 9.61539
59 2WTX UDP 0.04372 0.41002 9.61539
60 1X7D NAD 0.02097 0.40813 9.61539
61 1X7D ORN 0.03023 0.40624 9.61539
62 4YNM SAM 0.01467 0.41201 10.5769
63 2BME GNP 0.03252 0.40465 10.5769
64 4F97 VDO 0.04387 0.4032 10.5769
65 3C6K SPD 0.03567 0.40139 10.5769
66 3C6K MTA 0.03567 0.40139 10.5769
67 1A4R GDP 0.007957 0.4356 11.5385
68 5THQ NDP 0.01497 0.42242 11.5385
69 3DZ6 M8E 0.01532 0.41098 11.5385
70 1RJD SAM 0.0263 0.40462 11.5385
71 1R27 MGD 0.003244 0.4662 12.5
72 2VBU CDP 0.01669 0.43396 12.5
73 5G5G MCN 0.003074 0.46882 13.4615
74 1N62 MCN 0.003683 0.45846 13.4615
75 1T3Q MCN 0.006735 0.45171 14.4231
76 3G5D 1N1 0.03775 0.42489 14.4231
77 3CX8 GSP 0.01551 0.43108 15.3846
78 2IVF MD1 0.007421 0.43832 16.3462
79 1UCD U5P 0.002688 0.43686 17.3077
80 1UCD URA 0.005623 0.43686 17.3077
81 3GRU AMP 0.01792 0.41427 17.3077
82 4AXD ANP 0.01534 0.44005 19.2308
83 1RSG FAD 0.03899 0.41733 19.2308
84 4CNK FAD 0.03019 0.40875 19.2308
85 3UDZ ADP 0.02944 0.40587 19.2308
86 4NES UD1 0.02056 0.41133 21.1538
87 1GOT GDP 0.0373 0.40301 23.0769
88 1ZCB GDP 0.01025 0.43777 25
89 3AB3 GDP 0.01881 0.41789 25
90 3HRD MCN 0.0263 0.40306 25
91 2XTZ GSP 0.03508 0.40969 30.7692
Pocket No.: 3; Query (leader) PDB : 1DCP; Ligand: HBI; 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: 1dcp.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1DCP; Ligand: HBI; 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: 1dcp.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1DCP; Ligand: HBI; Similar sites found: 101
This union binding pocket(no: 5) in the query (biounit: 1dcp.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OOI SAM 0.009194 0.43303 None
2 1TZD ADP 0.003664 0.42891 None
3 3NBC LAT 0.008046 0.41969 None
4 2ZWI C5P 0.008648 0.41825 None
5 3NKV GNP 0.02438 0.41584 None
6 2FWP CIT 0.006075 0.4136 None
7 4C4P GNP 0.03188 0.40798 None
8 1NBU PH2 0.01137 0.40584 None
9 1Z0A GDP 0.02153 0.40559 None
10 4NJS G08 0.04499 0.4044 None
11 1U7Z PMT 0.02918 0.40435 None
12 3A4T SFG 0.02567 0.4033 None
13 1VG8 GNP 0.03064 0.40149 None
14 4R84 CSF 0.00383 0.43123 1.92308
15 1Z06 GNP 0.009175 0.43008 1.92308
16 5D9O BGC BGC BGC BGC 0.0105 0.42559 1.92308
17 3T31 DCQ 0.0459 0.41686 1.92308
18 3T31 FAD 0.04389 0.41686 1.92308
19 3A9Y CYS 0.01 0.41122 1.92308
20 5T9E NAP 0.0292 0.41841 2.88462
21 3TKL GTP 0.02165 0.41487 2.88462
22 1P9P SAH 0.00512 0.41424 2.88462
23 2OYS FMN 0.04393 0.40451 2.88462
24 1SQF SAM 0.01948 0.4039 2.88462
25 1WMA AB3 0.01849 0.4452 3.84615
26 5L4S NAP 0.03617 0.41994 3.84615
27 5L4S 6KX 0.03617 0.41994 3.84615
28 2FFQ GSP 0.02724 0.41103 3.84615
29 3A4V NAD 0.03455 0.411 3.84615
30 1N5D NDP 0.04283 0.40929 3.84615
31 5L53 NAP 0.02822 0.40791 3.84615
32 4K5S PM0 0.009516 0.45469 4.80769
33 4K5S FAD 0.005595 0.45469 4.80769
34 2GJ3 FAD 0.005376 0.45338 4.80769
35 2IF8 ADP 0.006971 0.42273 4.80769
36 2V3B FAD 0.03866 0.42159 4.80769
37 4C3Y FAD 0.02256 0.40835 4.80769
38 4C3Y ANB 0.02618 0.40835 4.80769
39 1A27 NAP 0.03781 0.40705 4.80769
40 3BEO UD1 0.01587 0.43091 5.76923
41 2YVF FAD 0.04268 0.42667 5.76923
42 2YVF NAD 0.04357 0.42667 5.76923
43 5EOB 5QQ 0.04303 0.42327 5.76923
44 3MQ2 SAH 0.02208 0.41578 5.76923
45 2GCO GNP 0.02655 0.40833 5.76923
46 3C1M ANP 0.03279 0.40622 5.76923
47 2X4Z X4Z 0.02557 0.40001 5.76923
48 3IWD M2T 0.003964 0.41415 5.88235
49 5BUK FAD 0.01826 0.43025 6.73077
50 3MF2 AMP 0.0373 0.41319 6.73077
51 4H2V AMP 0.03548 0.41286 6.73077
52 5FJN BE2 0.04291 0.40931 6.73077
53 5FJN FAD 0.03941 0.40931 6.73077
54 1MOQ GLP 0.02711 0.40754 6.73077
55 3H4V NAP 0.02536 0.40727 6.73077
56 1TAD GDP 0.04669 0.40582 6.73077
57 1Y3A GDP 0.03252 0.40518 6.73077
58 2BRY FAD 0.04382 0.40066 6.73077
59 1L6O SER LEU LYS LEU MET THR THR VAL 0.005864 0.43069 7.36842
60 4MIX UD1 0.02949 0.40934 7.69231
61 4USR FAD 0.02641 0.40834 7.69231
62 3GD4 FAD 0.04332 0.40502 7.69231
63 5JDI NAP 0.00811 0.43833 8.65385
64 2RGJ FAD 0.008985 0.43488 8.65385
65 5SZH GNP 0.01486 0.4307 8.65385
66 3E1T FAD 0.01871 0.43009 8.65385
67 3JQ8 NAP 0.01251 0.42874 8.65385
68 4CLR NAP 0.01253 0.4286 8.65385
69 3BMO NAP 0.01128 0.42756 8.65385
70 3JQB NAP 0.01447 0.4257 8.65385
71 2WD7 NAP 0.01427 0.42484 8.65385
72 2VZ0 NAP 0.04873 0.42248 8.65385
73 2VZ0 D64 0.04873 0.42248 8.65385
74 3BMN NAP 0.01952 0.42141 8.65385
75 3RJ5 NAD 0.04015 0.41247 8.65385
76 2CJ9 SSA 0.04596 0.4054 8.65385
77 4JGP PYR 0.01012 0.40301 8.65385
78 5THZ SAH 0.04671 0.40142 8.65385
79 1RP0 AHZ 0.01407 0.42536 9.61539
80 1Z0K GTP 0.02783 0.40041 10.5769
81 2RGO FAD 0.01666 0.43043 11.5385
82 2WMO GTP 0.02481 0.41022 11.5385
83 1CY2 TMP 0.01334 0.4062 11.5385
84 2NGR AF3 0.01873 0.40322 11.5385
85 1D4D FAD 0.03285 0.40966 12.5
86 1D4O NAP 0.04633 0.40111 12.5
87 3OJO NAD 0.007374 0.41326 13.4615
88 3QF7 ANP 0.04646 0.40681 13.4615
89 2WK1 SAH 0.006994 0.40686 14.4231
90 2F5Z FAD 0.0382 0.40867 15.3846
91 4V3C C 0.002751 0.43704 16.3462
92 1R2Q GNP 0.01217 0.41877 16.3462
93 1TU3 GNP 0.04618 0.40342 16.3462
94 2AG5 NAD 0.02784 0.41563 18.2692
95 1T8U UAP SGN IDS SGN 0.04036 0.40559 18.2692
96 1YBH FAD 0.01554 0.40056 18.2692
97 3GMB FAD 0.0177 0.4132 19.2308
98 2E5V FAD 0.04616 0.40291 19.2308
99 1SVK ALF GDP 0.04301 0.40853 23.0769
100 2NX1 RP5 0.0421 0.40729 23.0769
101 1KNR FAD 0.01223 0.42571 31.7308
Pocket No.: 6; Query (leader) PDB : 1DCP; Ligand: HBI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1dcp.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1DCP; Ligand: HBI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1dcp.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1DCP; Ligand: HBI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1dcp.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback