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Receptor
PDB id Resolution Class Description Source Keywords
1U25 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE IN THE C2221 CRYSTAL F ORM 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:2165;
A:2167;
C:2166;
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
1U25 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE IN THE C2221 CRYSTAL F ORM 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 1U25 - 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 1U25 - 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 1U25 - 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 : 1U25; Ligand: IHS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1u25.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1U25; Ligand: IHS; Similar sites found with APoc: 124
This union binding pocket(no: 2) in the query (biounit: 1u25.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4F4S EFO None
2 5A4W QCT 0.943396
3 1UBY DMA 1.18694
4 2GBB CIT 1.28205
5 1FEC FAD 1.48368
6 5ZW7 FAD 1.48368
7 1E7S NAP 1.55763
8 6IIU A8X 1.65289
9 2WPF WPF 1.78042
10 5OSW DIU 1.78042
11 6BMS PLM 1.78042
12 5W7D PX8 1.78042
13 3TIC ZMR 1.91898
14 3ET1 ET1 2.06186
15 3PE2 E1B 2.07715
16 2XXP DSL 2.07715
17 1X7D ORN 2.07715
18 5GG9 8GT 2.07715
19 1URX AAL GAL AAL GAL AAL GAL AAL 2.12766
20 5BO9 CSF 2.37389
21 5L4L NAP 2.37389
22 5ZKC 3C0 2.37389
23 2NVK FAD 2.37389
24 1YQZ FAD 2.37389
25 2NPA MMB 2.37389
26 1F06 2NP 2.5
27 1F06 NDP 2.5
28 2Q8G AZX 2.67062
29 1IYK MYA 2.67062
30 5NTW 98N 2.72374
31 1GZF NAD 2.8436
32 2V77 PAY 2.91262
33 5F1R 42O 2.95359
34 2PZI AXX 2.96736
35 3EBL GA4 2.96736
36 6MDE MEV 2.9703
37 3E8T UQ8 3.18182
38 1XKD ICT 3.2641
39 2A1L PCW 3.33333
40 2UXI G50 3.33333
41 3P7N FMN 3.48837
42 4OIV XX9 3.53982
43 1ZPD CIT 3.56083
44 4RPO T6C 3.58744
45 3GST GPR 3.68664
46 4M0R 644 3.69393
47 4G10 GSH 3.77358
48 3ETG GWD 3.85757
49 5BQI GSH 3.8961
50 5BQI 4UL 3.8961
51 1USF NAP 3.93258
52 1USF FMN 3.93258
53 5OVV ACE ILE GLU SER THR GLU ILE 4.06504
54 3TLJ SAH 4.1543
55 3VOT ADP 4.1543
56 4K10 NI9 4.1543
57 4JZX 476 4.1543
58 1L6O SER LEU LYS LEU MET THR THR VAL 4.21053
59 1VG0 GER 4.45104
60 1YKD CMP 4.45104
61 4KM2 ATR 4.46927
62 4KM2 TOP 4.46927
63 3ET3 ET1 4.79452
64 5N5D SAM 4.86726
65 4D7M TDC 5.06912
66 4JE7 BB2 5.07614
67 6GW1 CHO 5.09554
68 3QMK SGN IDS SGN IDS 5.14019
69 5XK9 GST 5.17241
70 5OVC ACE GLU ALA GLN THR ARG LEU 5.20833
71 3V49 PK0 5.26316
72 5K7K 6RJ 5.34125
73 5DKK FMN 5.51724
74 5X5M 7YU 5.55556
75 4HZX G39 5.63798
76 6F30 UD1 5.63798
77 4MWV BCZ 5.63798
78 5AZC PGT 5.66667
79 2C3Q GTX 6.07287
80 4IS0 1R4 6.22407
81 2OFW ADX 6.25
82 5CSD ACD 6.28931
83 4X17 SIA 6.52819
84 4K49 HFQ 6.61765
85 5J1J ANP 6.66667
86 5IM3 DTP 6.82493
87 6FFI D8B 6.82493
88 4I67 G G G RPC 6.89655
89 2PEZ DAT 7.26257
90 2PEZ GGZ 7.26257
91 5NI5 8YB 7.29167
92 6H0B UDP 7.4184
93 5TIV A3P 7.50988
94 4RKK GLC GLC GLC GLC GLC GLC 7.53012
95 5EYP LOC 7.69231
96 5W7B PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR 7.71513
97 1XM4 PIL 7.78894
98 5B0W 22B 7.90378
99 3AAQ ARU 8.01187
100 4S1B 2BA 8.10811
101 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 8.15603
102 3G4G D71 8.60534
103 2XFH CL6 9.19881
104 1JQY A32 9.70874
105 3C2O NTM 9.86395
106 2XRH NIO 10
107 4B5P ACO 10.5
108 3JRS A8S 10.5769
109 2E9L BGC 10.6825
110 2E9L PLM 10.6825
111 2E9L OLA 10.6825
112 1YUC EPH 10.9804
113 1ZDU P3A 11.4286
114 1BZL FAD 11.5727
115 1M7G ADP 11.8483
116 1M7G ADX 11.8483
117 2IBZ UQ6 12.1622
118 1UVC STE 16.4835
119 6FWH 5LD 16.7513
120 1XQP 8HG 16.7969
121 6A5Y 9CR 16.8067
122 5AHS COA 17.2107
123 5ZCO TGL 23.4043
124 5Z84 CHD 23.4043
Pocket No.: 3; Query (leader) PDB : 1U25; Ligand: IHS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1u25.bio3) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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