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Receptor
PDB id Resolution Class Description Source Keywords
5UBG 1.9 Å EC: 2.4.2.17 CATALYTIC CORE DOMAIN OF ADENOSINE TRIPHOSPHATE PHOSPHORIBOSYLTRANSFERASE FROM CAMPYLOBACTER JEJUNI WITH BOP HOSPHORIBOSYL-ATP CAMPYLOBACTER JEJUNI (STRAIN RM1221) HISTIDINE-BIOSYNTHESIS HISG PR-ATP TRANSFERASE
Ref.: A DIMERIC CATALYTIC CORE RELATES THE SHORT AND LONG ATP-PHOSPHORIBOSYLTRANSFERASE. BIOCHEM. J. V. 475 247 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:302;
B:304;
A:303;
A:301;
B:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
CL B:305;
Invalid;
none;
submit data
35.453 Cl [Cl-]
PRT B:303;
A:302;
Valid;
Valid;
none;
none;
submit data
719.276 C15 H25 N5 O20 P4 [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UBG 1.9 Å EC: 2.4.2.17 CATALYTIC CORE DOMAIN OF ADENOSINE TRIPHOSPHATE PHOSPHORIBOSYLTRANSFERASE FROM CAMPYLOBACTER JEJUNI WITH BOP HOSPHORIBOSYL-ATP CAMPYLOBACTER JEJUNI (STRAIN RM1221) HISTIDINE-BIOSYNTHESIS HISG PR-ATP TRANSFERASE
Ref.: A DIMERIC CATALYTIC CORE RELATES THE SHORT AND LONG ATP-PHOSPHORIBOSYLTRANSFERASE. BIOCHEM. J. V. 475 247 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5UBI - PRP C5 H13 O14 P3 C([C@@H]1[....
2 5UBG - PRT C15 H25 N5 O20 P4 [H]/N=C1/c....
3 5UBH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5UBI - PRP C5 H13 O14 P3 C([C@@H]1[....
2 5UBG - PRT C15 H25 N5 O20 P4 [H]/N=C1/c....
3 5UBH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5UBI - PRP C5 H13 O14 P3 C([C@@H]1[....
2 5UBG - PRT C15 H25 N5 O20 P4 [H]/N=C1/c....
3 5UBH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRT; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 PRT 1 1
2 IDP 0.5 0.986111
3 GTP 0.490741 0.959459
4 IMP 0.466019 0.972222
5 ITT 0.457143 0.90411
6 HEJ 0.45283 0.931507
7 ATP 0.45283 0.931507
8 GDP 0.449541 0.959459
9 AQP 0.448598 0.931507
10 5FA 0.448598 0.931507
11 R7I 0.441441 0.958904
12 R5I 0.441441 0.958904
13 GP3 0.440367 0.934211
14 CXR 0.433628 0.929577
15 UP5 0.428571 0.858974
16 HFD 0.427273 0.883117
17 HF4 0.424528 0.842105
18 CTP 0.424528 0.842105
19 7DT 0.422018 0.917808
20 RGT 0.421488 0.894737
21 UTP 0.419048 0.813333
22 GSP 0.417391 0.910256
23 G 0.416667 0.945946
24 5GP 0.416667 0.945946
25 AIR 0.412371 0.888889
26 AP5 0.411215 0.905405
27 B4P 0.411215 0.905405
28 ADP 0.411215 0.931507
29 GCP 0.408696 0.934211
30 1RB 0.407767 0.847222
31 25L 0.404959 0.918919
32 BA3 0.401869 0.905405
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UBG; Ligand: PRT; Similar sites found with APoc: 106
This union binding pocket(no: 1) in the query (biounit: 5ubg.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1P19 IMP None
2 3QDV NDG None
3 3QDU CBS CBS None
4 2JBH 5GP 1.33333
5 1QB7 ADE 1.76991
6 1DQN IMU 2.21239
7 1P4A PCP 2.21239
8 3WG3 A2G GAL NAG FUC 2.21239
9 6APV 3L4 2.31481
10 4DS0 A2G GAL NAG FUC 2.45399
11 1RJW ETF 2.65487
12 4RHY 3QG 2.65487
13 1Q19 SSC 2.65487
14 2Y9G LBT 2.66667
15 2Y9G LAT 2.66667
16 3LN9 FLC 2.8777
17 1KZL CRM 2.88462
18 3QX9 ATP 2.89855
19 2PS1 ORO 3.09735
20 2PS1 PRP 3.09735
21 3RS8 ALA TRP LEU PHE GLU ALA 3.09735
22 1NX9 AIC 3.09735
23 4FE2 ASP 3.09735
24 4NAE 1GP 3.11111
25 1HGX 5GP 3.27869
26 4P86 5GP 3.27869
27 3F81 STT 3.27869
28 1PZM 5GP 3.31754
29 3UEC ALA ARG TPO LYS 3.42466
30 1PNF NDG NAG 3.53982
31 5C9P FUC 3.53982
32 5WS9 OXL 3.53982
33 2RDK MAN MAN 3.66972
34 1BZY IMU 3.68664
35 1L1Q 9DA 3.76344
36 5FUI APY 3.78788
37 3MBI HSX 3.9823
38 4KFU ACP 3.9823
39 4P9Z NMI PTR 02K ASN NH2 3.9823
40 3FSY SCA 3.9823
41 5EHS 2JJ 3.9823
42 5EHS 5OY 3.9823
43 5HV7 RBL 3.9823
44 5TQZ GLC 4
45 1VBO MAN 4.02685
46 1VBO MAN MAN MAN 4.02685
47 1LH0 ORO 4.22535
48 4DDY DN6 4.42478
49 1DLL LAT 4.42478
50 4B9E FAH 4.42478
51 2JLD AG1 4.42478
52 1OBD AMP 4.42478
53 4YFB PAC 4.42478
54 1PVC ILE SER GLU VAL 4.42804
55 2X2T GAL NGA 4.57516
56 4S1D 41M 4.6729
57 5THY SAH 4.69136
58 4L9Z COA 4.86726
59 4L9Z OXL 4.86726
60 5TSH ANP 4.86726
61 1QKQ MAN 4.92958
62 3ACC 5GP 4.97238
63 3OCP CMP 5.03597
64 6FCH PRP 5.05618
65 1NU4 MLA 5.15464
66 4JLS 3ZE 5.26316
67 2JKY 5GP 5.30973
68 4PPF FLC 5.30973
69 3HQP OXL 5.30973
70 3CM2 X23 5.38462
71 1O5O U5P 5.42986
72 3WFD AXO 5.47945
73 2G50 PYR 5.75221
74 5EZ1 ICB 5.75221
75 1UPF URF 5.80357
76 5VJN ADE 5.88235
77 5VJN IR8 5.88235
78 1B4P GPS 5.99078
79 5OPM DTP 6.19469
80 3I0O SMI 6.19469
81 2JC9 ADN 6.19469
82 3OZG SSI 6.4
83 4URX HXY 6.48649
84 2QJT AMP 6.63717
85 5LXB 7A9 7.02479
86 4ZDM GLY 7.07965
87 1U1J C2F 7.52212
88 5GVR LMR 7.52212
89 4UCC ZKW 7.52212
90 4MRP GSH 7.52212
91 5E6O TRP GLU GLU LEU 7.62712
92 1R1Q ACE ARG GLU PTR VAL ASN VAL 9
93 3QH2 3NM 9.04977
94 2QIE 8CS 9.09091
95 5EPA AKG 9.319
96 1MZV AMP 9.73451
97 6AR9 3L4 9.73451
98 1XTT U5P 10.1852
99 1QK3 5GP 10.6195
100 4G0P U5P 11.5646
101 1Y7P RIP 11.6592
102 4CP8 MLI 12.8319
103 2HIM ASN 13.2743
104 4G6I RS3 16.6667
105 4P83 U5P 16.8142
106 3RC3 ANP 17.6991
Pocket No.: 2; Query (leader) PDB : 5UBG; Ligand: PRT; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 5ubg.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1OFZ FUC None
2 1OFZ FUL None
3 3KIF GDL None
4 1JG3 ADN None
5 2XQO CTR 1.32743
6 6EK3 OUL 1.35747
7 4TVD BGC 2.65487
8 6F5W KG1 2.65487
9 4UP4 GAL NAG 3.9823
10 4UP4 NDG 3.9823
11 4UDK BMA 4.42478
12 5VKM GAL SIA 4.86726
13 1NE7 16G 5.30973
14 5BVA FAD 6.19469
15 3KP6 SAL 6.62252
16 2GAG FOA 7.07071
17 4D1J DGJ 7.07965
18 3WIR BGC 7.52212
19 1TUU ADP 9.73451
20 5NM7 GLY 9.73451
21 4TQK NAG 11.0619
22 4WOH 4NP 13.253
23 6BYF CIT 15.2941
24 5CSS G3P 17.6991
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