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Receptor
PDB id Resolution Class Description Source Keywords
1U26 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE SELENOMONAS RUMINANTIUM PTP P-LOOP PHYTASE HYDROLASE
Ref.: STRUCTURES OF SELENOMONAS RUMINANTIUM PHYTASE IN COMPLEX WITH PERSULFATED PHYTATE; DSP PHYTASE FOLD AND MECHANISM FOR SEQUENTIAL SUBSTRATE HYDROLYSIS STRUCTURE V. 12 2015 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHS A:2166;
A:2167;
B:2165;
Valid;
Valid;
Valid;
none;
none;
none;
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660.535 C6 H12 O24 S6 C1(C(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U26 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE SELENOMONAS RUMINANTIUM PTP P-LOOP PHYTASE HYDROLASE
Ref.: STRUCTURES OF SELENOMONAS RUMINANTIUM PHYTASE IN COMPLEX WITH PERSULFATED PHYTATE; DSP PHYTASE FOLD AND MECHANISM FOR SEQUENTIAL SUBSTRATE HYDROLYSIS STRUCTURE V. 12 2015 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1U26 - IHS C6 H12 O24 S6 C1(C(C(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 2 families.
1 1U26 - IHS C6 H12 O24 S6 C1(C(C(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 2 families.
1 1U26 - IHS C6 H12 O24 S6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IHS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IHS 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U26; Ligand: IHS; Similar sites found with APoc: 44
This union binding pocket(no: 1) in the query (biounit: 1u26.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1D1Q 4NP 1.86335
2 1ZSQ PIB 2.07715
3 4P53 NAI 2.07715
4 4X7Y SAH 2.18978
5 4WOH 4NP 2.40964
6 4PLT OXM 2.71903
7 4PLT NAI 2.71903
8 1GZ4 ATP 2.72232
9 5KMS NAD 3.2641
10 5KQG 6VX 3.37079
11 4GE6 B26 3.50318
12 3O9Z AKG 3.52564
13 3O9Z NAD 3.52564
14 2J5V PCA 3.56083
15 3O2Q PRO THR SEP PRO SER TYR 3.73832
16 5K4W THR 3.73832
17 4YKG FAD 4.22265
18 3LN9 FLC 4.31655
19 3F81 STT 4.37158
20 4ISS TAR 4.45104
21 1UXG FUM 4.53074
22 1UXG NAD 4.53074
23 4KYQ FLC 4.80769
24 3O5X JZG 5.07246
25 1H0H 2MD 5.14019
26 3P9Y N7P THR SEP PRO SER TYR SET 5.55556
27 4J51 N75 5.82822
28 9LDT NAD 6.3253
29 2OZ5 7XY 6.75676
30 3W68 4PT 6.76692
31 3V0H I3P 6.82493
32 4X1B MLI 6.82493
33 1RYO OXL 7.03364
34 1PA9 CSN 7.04225
35 6BYF CIT 8.82353
36 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 9.09091
37 5OVX AY5 9.18033
38 1UZ4 IFL 10.6825
39 2H04 4UN 11.1821
40 2CNE DFJ 11.1842
41 1OHE ACE ALA SEP PRO 11.276
42 2IMG MLT 13.9073
43 3RGQ 5P5 15.3846
44 3QIN P1Y 19.3333
Pocket No.: 2; Query (leader) PDB : 1U26; Ligand: IHS; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 1u26.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3ITJ CIT 2.07715
2 2ISJ FMN 2.17391
3 3ZNN FAD 2.37389
4 3ZNN 4WL 2.37389
5 1XKQ NDP 2.85714
6 2Q8Z NUP 2.96736
7 2XCU C5P 2.96736
8 1N7G GDR 3.2641
9 6FLZ MMA 3.47222
10 5TPR NAD 3.56083
11 5K4W NAI 3.73832
12 3GD4 NAD 3.85757
13 5GZZ GSH 4.1543
14 4RHY 3QG 4.47761
15 3ZOK NAD 4.74777
16 1LDN NAD 5.6962
17 4LFL TG6 5.81395
18 1UCD U5P 6.31579
19 2HJR APR 6.82493
20 4RKK GLC GLC GLC GLC GLC GLC 7.83133
Pocket No.: 3; Query (leader) PDB : 1U26; Ligand: IHS; Similar sites found with APoc: 106
This union binding pocket(no: 3) in the query (biounit: 1u26.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 ARG None
2 5MT9 SRO None
3 5U23 TQP 1.18694
4 2WPF WPF 1.78042
5 2WPF FAD 1.78042
6 1MLY ACZ PLP 1.78042
7 3RC1 TLO 1.78042
8 3RC1 NAP 1.78042
9 1N5S ADL 1.78571
10 2V2V V12 1.84502
11 1IG3 VIB 1.90114
12 3CV3 UDP 2.07715
13 1ZC9 PMP 2.07715
14 4N3A UDP 2.07715
15 4WXG 2BO 2.07715
16 1E5F PLP 2.07715
17 1VGV UD1 2.07715
18 4GYW UDP 2.07715
19 6GNA FAD 2.08333
20 5KGS 6SR 2.37389
21 5W71 PLP 2.37389
22 5W71 9YM 2.37389
23 1B9I PXG 2.37389
24 5YKT PMP 2.37389
25 4ADC PLP 2.37389
26 1F06 2NP 2.5
27 1F06 NDP 2.5
28 3SJU NDP 2.50896
29 4ZAH T5K 2.67062
30 5M3Z PY6 2.67062
31 5M3Z PLP 2.67062
32 5M3Z NLE 2.67062
33 5W70 9YM 2.67062
34 5K0A FAD 2.72727
35 4RI6 GSH 2.7907
36 6F68 4EU 2.84553
37 6F68 GSH 2.84553
38 2HHP FLC 2.96736
39 1O69 X04 2.96736
40 4E3Q PMP 2.96736
41 4AGS GSH 2.96736
42 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 3.15789
43 3G6K POP 3.24675
44 3G6K FAD 3.24675
45 2R7G PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 3.2641
46 5GSN NAP 3.2641
47 4UOX PLP 3.42612
48 3BGD PM6 3.46154
49 3BGD SAH 3.46154
50 1SFF IK2 3.56083
51 2XBN PMP 3.56083
52 6C28 WCA 3.76344
53 1DFO PLG 3.83693
54 5DDW 5B6 3.85757
55 1GWC GTX 3.91304
56 3ND6 ATP 4.09357
57 4EPL JAI 4.1543
58 1K1Y MAL 4.1543
59 3NJ4 AFX 4.1543
60 3NJ4 NAD 4.1543
61 1OXO IK2 4.1543
62 4M52 M52 4.1543
63 5G4J EXT 4.1543
64 1PKK DCP 4.41176
65 4MFL MFK 4.45104
66 1FW1 GSH 4.62963
67 5K8B PDG 4.74777
68 3PD6 PMP 4.74777
69 3PDB PMP 4.74777
70 5GVL GI8 4.74777
71 5GVL PLG 4.74777
72 5G5F GSH 4.80349
73 5G09 6DF 5.04451
74 3N5O GSH 5.10638
75 3QMK SGN IDS SGN IDS 5.14019
76 5F05 GSH 5.18868
77 3FQ8 PMP 5.34125
78 3QKD HI0 5.52486
79 4KM2 ATR 5.58659
80 4KM2 TOP 5.58659
81 1Z83 AP5 5.61225
82 6C8R EQV 5.63798
83 5AZC PGT 5.66667
84 1GNI OLA 5.93472
85 2CIG 1DG 6.28931
86 2CDN ADP 6.46766
87 5WUU 7UU 6.47482
88 6CD1 PLG 6.52819
89 6CD1 PLS 6.52819
90 5X2Z 3LM 6.82493
91 5X30 7XF 6.82493
92 5X30 4LM 6.82493
93 3X1M COA 6.91824
94 4ZY1 4U5 7.12166
95 6C7R EO4 7.2
96 4XCP PLM 7.4184
97 3SQP FAD 8.01187
98 4BA5 PXG 8.01187
99 3NUB UD0 8.01187
100 3QCJ NX4 8.3871
101 5LLT DND 8.4507
102 2GJ3 FAD 9.16667
103 4QVB F42 9.52381
104 4K2M O1G 9.79228
105 5F06 GSH 10.1852
106 2ASF CIT 12.4088
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