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Receptor
PDB id Resolution Class Description Source Keywords
2VJJ 1.59 Å NON-ENZYME: BINDING TAILSPIKE PROTEIN OF E.COLI BACTERIOPHAGE HK620 IN COMPLEX WITH HEXASACCHARIDE SALMONELLA PHAGE HK620 VIRAL PROTEIN ENDO-N-ACETYLGLUCOSAMINIDASE VIRAL ADHESION RIGHT-HANDED PARALLEL BETA-HELIX HYDROLASE TAILSPIKE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI PHAGE HK620 TAILSPIKE: PODOVIRAL TAILSPIKE ENDOGLYCOSIDASE MODU EVOLUTIONARILY RELATED. MOL.MICROBIOL. V. 69 303 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:710;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:711;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:713;
A:714;
A:715;
A:716;
A:717;
A:718;
A:719;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:712;
Invalid;
none;
submit data
39.098 K [K+]
RAM GLC GAL NAG NAG GLC A:720;
Valid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6G0X 1.41 Å NON-ENZYME: BINDING TAILSPIKE PROTEIN OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX PENTASACCHARIDE SALMONELLA PHAGE HK620 BETA HELIX PROTEIN-CARBOHYDRATE COMPLEX PECTIN LYASE FOLDHYDROLASE
Ref.: SOLVENT NETWORKS TUNE THERMODYNAMICS OF OLIGOSACCHA COMPLEX FORMATION IN AN EXTENDED PROTEIN BINDING SI J. AM. CHEM. SOC. V. 140 10447 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 6G0X - RAM GLC GLA NAG NDG NAG n/a n/a
2 6GVR - RAM GLC GLA NDG NAG n/a n/a
3 6GVP - RAM GLC GLA NDG NAG GLC n/a n/a
4 2VJJ - RAM GLC GAL NAG NAG GLC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 6G0X - RAM GLC GLA NAG NDG NAG n/a n/a
2 6GVR - RAM GLC GLA NDG NAG n/a n/a
3 6GVP - RAM GLC GLA NDG NAG GLC n/a n/a
4 2VJJ - RAM GLC GAL NAG NAG GLC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 6G0X - RAM GLC GLA NAG NDG NAG n/a n/a
2 6GVR - RAM GLC GLA NDG NAG n/a n/a
3 6GVP - RAM GLC GLA NDG NAG GLC n/a n/a
4 2VJJ - RAM GLC GAL NAG NAG GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RAM GLC GAL NAG NAG GLC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6G0X; Ligand: RAM GLC GLA NAG NDG NAG; Similar sites found with APoc: 112
This union binding pocket(no: 1) in the query (biounit: 6g0x.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 5AHN IMP 1.22699
3 3VSV XYP 1.33556
4 4B0T ADP 1.41988
5 5LUN ARG 1.42045
6 4JH6 FCN 1.44928
7 5T9C G3P 1.49254
8 1JQN DCO 1.5025
9 5FXD H7Y 1.52091
10 5W0N UPU 1.73697
11 4CNO 9PY 1.98413
12 1SR9 KIV 2.17028
13 6E1Q CFA 2.18487
14 5L2R MLA 2.50417
15 5F6U 5VK 2.54777
16 4LED XXR 2.61194
17 3R6K FUC GAL GLA 2.62295
18 5YLF BGC 2.69461
19 1P19 IMP 2.71493
20 4Y7E BMA BMA BMA 2.89017
21 4GC1 MAN MAN 2.89855
22 3U6W KIV 3.0445
23 2OVW CBI 3.16302
24 5X7Q GLC GLC GLC GLC 3.17195
25 4KBA 1QM 3.32326
26 5CKW ANP 3.32594
27 4MUV PCG 3.52113
28 2WL9 MBD 3.60656
29 2IRY DGT 3.63036
30 6E08 NAP 3.68932
31 5LPB ADP 3.71622
32 1OJK GLC BGC 3.73134
33 1OJJ GLC GAL 3.73134
34 2QX0 PH2 3.77358
35 4AVV CD 3.92157
36 1U3D ANP 3.92927
37 5E5U 1PS 4.0201
38 4FFG 0U8 4.06504
39 3CF6 SP1 4.19162
40 1UMZ BGC BGC XYS BGC XYS GAL 4.31655
41 3VV1 GAL FUC 4.375
42 1MG1 MAL 4.44444
43 2W92 NGT 4.50751
44 5FUI APY 4.54545
45 3CBC DBS 4.54545
46 3NZ1 3NY 4.5977
47 1URX AAL GAL AAL GLA 4.60993
48 3T50 FMN 4.6875
49 4ZU4 4TG 4.72973
50 1KW6 BPY 4.79452
51 4XZ3 ACP 4.8414
52 3ZZH ARG 4.88599
53 4NAE 1GP 4.88889
54 5I8T LAC 5.02793
55 1W3T 3GR 5.10204
56 4H6B 10X 5.12821
57 4H69 10Y 5.15464
58 5A7V MAN 5.15464
59 1NVM OXL 5.21739
60 5H2U 1N1 5.24345
61 2C49 ADN 5.29801
62 2WEL K88 5.33333
63 5HWV MBN 5.38462
64 2DW7 SRT 5.39846
65 3HPY MCT 5.50162
66 2EB5 OXL 5.61798
67 5OO5 UUA 5.64516
68 5DYO FLU 5.66038
69 1ONI BEZ 5.7971
70 4RYV ZEA 5.80645
71 2QL9 CIT 6.18557
72 1ZM1 BGC BGC BGC 6.22407
73 3WDX BGC BGC GLC 6.37584
74 4PTN PYR 6.41399
75 5YJS SAL 6.66667
76 5EZU MYR 6.74157
77 4RD0 GDP 6.74699
78 1DZK PRZ 7.00637
79 1N5S ADL 7.14286
80 2Y5S 78H 7.14286
81 3H0L ADP 7.44681
82 2YKL NLD 7.54717
83 5H9P TD2 7.59494
84 5C8W PCG 7.69231
85 5EO8 TFU 7.71704
86 1U0A BGC BGC BGC BGC 7.94393
87 5FPX GLY SER SER HIS HIS HIS HIS HIS 7.9646
88 2G30 ALA ALA PHE 8.52713
89 6D61 4AA 8.71795
90 3DZ6 PUT 8.95522
91 3A76 SPD 9.09091
92 4URF 1PS 9.27419
93 1QKQ MAN 9.85915
94 4XO8 KGM 10.1266
95 3T0W DIW 10.5691
96 4XQM MAN 10.6383
97 1O9U ADZ 10.8571
98 2P7Q GG6 11.2782
99 6FA4 D1W 12.1387
100 6GMR F4K 12.7119
101 3TTZ 07N 13.1313
102 5TCI MLI 13.4058
103 4P8O 883 13.9037
104 3B00 16A 14.3382
105 5TBM 79A 14.7826
106 6GR0 F8W 15.5172
107 4K55 H6P 16.129
108 5HP8 PYR 17.7419
109 6GNO XDI 18.5185
110 4MNS 2AX 23.8994
111 5N2D 8J8 27.0833
112 5LWY OLB 37.8151
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