Receptor
PDB id Resolution Class Description Source Keywords
5FPZ 1.5 Å NON-ENZYME: OTHER THE STRUCTURE OF KDGF FROM YERSINIA ENTEROCOLITICA WITH MALONATE BOUND IN THE ACTIVE SITE. YERSINIA ENTEROCOLITICA HYDROLASE KDGF PECTIN ALGINATE URONATE SUGAR METABOLISM
Ref.: KDGF, THE MISSING LINK IN THE MICROBIAL METABOLISM URONATE SUGARS FROM PECTIN AND ALGINATE. PROC.NATL.ACAD.SCI.USA V. 113 6188 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NI A:1111;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
MLA A:1112;
Valid;
none;
submit data
104.061 C3 H4 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FPX 1.5 Å NON-ENZYME: OTHER THE STRUCTURE OF KDGF FROM YERSINIA ENTEROCOLITICA. YERSINIA ENTEROCOLITICA HYDROLASE KDGF PECTIN ALGINATE URONATE SUGAR METABOLISM
Ref.: KDGF, THE MISSING LINK IN THE MICROBIAL METABOLISM URONATE SUGARS FROM PECTIN AND ALGINATE. PROC.NATL.ACAD.SCI.USA V. 113 6188 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5FPZ - MLA C3 H4 O4 C(C(=O)O)C....
2 5FPX - GLY SER SER HIS HIS HIS HIS HIS n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5FPZ - MLA C3 H4 O4 C(C(=O)O)C....
2 5FPX - GLY SER SER HIS HIS HIS HIS HIS n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5FPZ - MLA C3 H4 O4 C(C(=O)O)C....
2 5FPX - GLY SER SER HIS HIS HIS HIS HIS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 MLA 1 1
2 AAE 0.6 0.631579
3 98J 0.428571 0.608696
4 0L1 0.411765 0.619048
5 GUA 0.411765 0.65
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FPX; Ligand: GLY SER SER HIS HIS HIS HIS HIS; Similar sites found: 171
This union binding pocket(no: 1) in the query (biounit: 5fpx.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N5S ADL 0.0001923 0.4544 None
2 3E2M E2M 0.0007053 0.45278 None
3 4RFR RHN 0.000514 0.44888 None
4 4PSB GA3 0.001696 0.44765 None
5 5E89 TD2 0.0009529 0.44612 None
6 5AIG VPR 0.002444 0.44143 None
7 3ZXE PGZ 0.00001384 0.4364 None
8 3L5R 47X 0.02178 0.42725 None
9 5H9P TD2 0.0001055 0.42618 None
10 3TCT 3MI 0.04755 0.42046 None
11 2YNE NHW 0.03596 0.41611 None
12 2YNE YNE 0.03596 0.41611 None
13 2A4W BLM 0.006579 0.4143 None
14 1ERB ETR 0.006539 0.41301 None
15 3STK PLM 0.01193 0.40884 None
16 5NFB 8VT 0.00003989 0.40699 None
17 3QP8 HL0 0.00318 0.40481 None
18 1DY4 SNP 0.03788 0.40479 None
19 2X34 UQ8 0.02698 0.40359 None
20 2X32 OTP 0.02816 0.4027 None
21 1QY1 PRZ 0.02998 0.40139 None
22 5F3I 5UJ 0.0008547 0.48053 1.76991
23 2Q8C AKG 0.004015 0.44058 1.76991
24 1DZK PRZ 0.006404 0.40896 1.76991
25 2D6M LBT 0.000002384 0.40532 1.76991
26 5BVE 4VG 0.004973 0.44744 2.21607
27 4ZU4 4TG 0.00001005 0.50849 2.65487
28 1LRH NLA 0.00001434 0.47995 2.65487
29 2GJ5 VD3 0.002972 0.44008 2.65487
30 1LN1 DLP 0.003643 0.43122 2.65487
31 4BXF AKG 0.0003336 0.40176 2.65487
32 1U0A BGC BGC BGC BGC 0.004354 0.40134 2.65487
33 3VQ2 LP4 LP5 MYR DAO 0.0009612 0.46845 3.53982
34 4O9S 2RY 0.003425 0.42403 3.53982
35 2FCU AKG 0.0004745 0.40467 3.53982
36 5HV0 AKG 0.00002631 0.48254 4.42478
37 5ML3 DL3 0.0004795 0.47669 4.42478
38 2XMY CDK 0.00169 0.47252 4.42478
39 4BQY FNT 0.0002208 0.45657 4.42478
40 3HQR OGA 0.0002036 0.44268 4.42478
41 3N0Y APC 0.002081 0.43033 4.42478
42 3VHH VHH 0.01252 0.42576 4.42478
43 3G08 FEE 0.01438 0.42137 4.42478
44 2JLD AG1 0.006641 0.41932 4.42478
45 4JZR 4JR 0.0004108 0.41864 4.42478
46 4ANW O92 0.007046 0.41691 4.42478
47 4G31 0WH 0.008536 0.41434 4.42478
48 3PQB VGP 0.006849 0.40421 4.42478
49 5OO5 UUA 0.0007507 0.43479 5.30973
50 5UWA 8ND 0.003249 0.43086 5.30973
51 4QM9 CYS 0.0002792 0.41652 5.30973
52 3WG3 A2G GAL NAG FUC 0.0006586 0.41167 5.30973
53 1DMY AZM 0.0008336 0.41008 5.30973
54 4IPH 1FJ 0.008696 0.40454 5.30973
55 4P8K FAD 0.03163 0.40329 5.30973
56 4P8K 38C 0.03163 0.40329 5.30973
57 1PN0 IPH 0.03387 0.40112 5.30973
58 5I0U DCY 0.000004154 0.49979 6.19469
59 5FP3 3JI 0.00009638 0.48687 6.19469
60 5C3R HMU 0.0001271 0.48002 6.19469
61 5C3R AKG 0.0001271 0.48002 6.19469
62 4QJP V1F 0.0002021 0.47674 6.19469
63 3MPB FRU 0.0002884 0.47468 6.19469
64 5U98 1KX 0.00562 0.44412 6.19469
65 2WSA MYA 0.01249 0.439 6.19469
66 2WSA 646 0.01249 0.439 6.19469
67 5DRB 5FJ 0.004874 0.43725 6.19469
68 2XUM OGA 0.00002614 0.43648 6.19469
69 5N87 N66 0.00387 0.43247 6.19469
70 1S4M LUM 0.004761 0.41768 6.19469
71 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.008675 0.41635 6.19469
72 1ZM1 BGC BGC BGC 0.002746 0.41088 6.19469
73 4YZC STU 0.01245 0.41021 6.19469
74 1UU6 BGC BGC BGC BGC 0.007253 0.40954 6.19469
75 1EPB REA 0.006727 0.408 6.19469
76 5T7I LAT NAG GAL 0.0003313 0.40698 6.19469
77 1OLM VTQ 0.009703 0.40391 6.19469
78 4UWJ MYA 0.04691 0.40195 6.19469
79 4UWJ 7L5 0.04691 0.40195 6.19469
80 5A3T MMK 0.000125 0.49478 7.07965
81 4GJY OGA 0.000004895 0.4493 7.07965
82 4YGF AZM 0.000768 0.4414 7.07965
83 3OPT AKG 0.006445 0.43156 7.07965
84 3FW4 CAQ 0.002132 0.43155 7.07965
85 3HDY GDU 0.02726 0.4125 7.07965
86 4FHD EEM 0.01623 0.40039 7.07965
87 4FHD 0TT 0.01623 0.40039 7.07965
88 3AVR OGA 0.000233 0.50593 7.9646
89 1GP6 QUE 0.0001633 0.4827 7.9646
90 1GP6 DH2 0.0001763 0.47936 7.9646
91 1GP6 SIN 0.0001763 0.47936 7.9646
92 5JSP DQY 0.000004608 0.47016 7.9646
93 2JIG PD2 0.00001461 0.46609 7.9646
94 2E56 MYR 0.000604 0.46388 7.9646
95 4XCB HY0 0.0008337 0.45128 7.9646
96 2ZHL NAG GAL GAL NAG 0.002116 0.43955 7.9646
97 3QCQ 3Q0 0.01899 0.43027 7.9646
98 4ZXA H8N 0.006233 0.42642 7.9646
99 3AVS OGA 0.0004552 0.41917 7.9646
100 4OCT AKG 0.0006459 0.41804 7.9646
101 3FW9 SLX 0.002835 0.41704 7.9646
102 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.02234 0.41678 7.9646
103 3LVW GSH 0.00971 0.4152 7.9646
104 5EOB 5QQ 0.02822 0.40643 7.9646
105 5GLT BGC GAL NAG GAL 0.00001872 0.40027 7.9646
106 4Q0L V14 0.0001875 0.47818 8.84956
107 4OPC FDA 0.002963 0.47723 8.84956
108 4OPC PGT 0.003692 0.47548 8.84956
109 5EW9 5VC 0.003368 0.47484 8.84956
110 1WUB OTP 0.005738 0.43201 8.84956
111 1KGI T4A 0.004104 0.41736 8.84956
112 3FW3 ETS 0.0007698 0.4124 8.84956
113 4ZSI GLP 0.003014 0.40651 8.84956
114 2WOX NDP 0.01741 0.40238 8.84956
115 5BYZ 4WE 0.01386 0.4023 8.84956
116 3AMN CBK 0.01076 0.40192 8.84956
117 3AMN CBI 0.01076 0.40192 8.84956
118 4WUP 3UF 0.000208 0.50816 9.73451
119 5MZI FAD 0.009547 0.4336 9.73451
120 5MZI FYK 0.009859 0.4336 9.73451
121 1MH5 HAL 0.002592 0.42781 9.73451
122 4F7E 0SH 0.00837 0.42135 9.73451
123 3W8X FTK 0.001022 0.4147 9.73451
124 4NPL AKG 0.0003193 0.41106 9.73451
125 1MJJ HAL 0.008801 0.40431 9.73451
126 1GT4 UNA 0.004119 0.40208 9.73451
127 4Y24 TD2 0.0001204 0.44254 10.6195
128 3OYW TDG 0.00008341 0.42929 10.6195
129 3E8N ATP 0.01487 0.41342 10.6195
130 3E8N VRA 0.01487 0.41342 10.6195
131 1LFO OLA 0.003586 0.41265 10.6195
132 2NNQ T4B 0.01371 0.41034 10.6195
133 2QZ3 XYP XYP XYP 0.0052 0.40943 10.6195
134 1DRY AKG 0.008173 0.40868 10.6195
135 1DRY AAG 0.008173 0.40868 10.6195
136 5TFZ 7BC 0.00001174 0.4753 11.5044
137 3PUR 2HG 0.01484 0.41438 11.5044
138 3OZ2 OZ2 0.01377 0.40598 11.5044
139 2GC0 PAN 0.00006813 0.48162 12.3894
140 1T27 PCW 0.00218 0.45176 12.3894
141 5A61 3PO 0.01008 0.40761 12.3894
142 3ILR IXD 0.02278 0.40712 12.3894
143 3ILR SGN 0.02278 0.40712 12.3894
144 5C5T AKG 0.00004132 0.53416 13.2743
145 1IF7 SBR 0.0002643 0.52707 13.2743
146 1J3R 6PG 0.0001704 0.44354 13.2743
147 1ZB6 GST 0.001596 0.44337 13.2743
148 1ZB6 DIN 0.001508 0.443 13.2743
149 4DE9 VTP 0.002599 0.43524 13.2743
150 3RGA LSB 0.0008248 0.42849 13.2743
151 3SCM LGN 0.01079 0.42817 13.2743
152 1Y0G 8PP 0.00857 0.42381 13.2743
153 2Z77 HE7 0.005487 0.4118 14.1593
154 2AG4 LP3 0.002435 0.46255 15.0442
155 2AG4 OLA 0.00899 0.43275 15.0442
156 2X4Z X4Z 0.01408 0.40554 15.0442
157 1ZHX HC3 0.005903 0.41352 15.9292
158 1NYW DAU 0.0004735 0.45041 16.8142
159 3QUZ QUV 0.003643 0.44856 17.6991
160 2RDQ AKG 0.002058 0.42694 17.6991
161 4IE6 UN9 0.0001872 0.41743 18.5841
162 5DEY 59T 0.0117 0.41145 18.5841
163 4HK8 XYP XYP XYP XYP XYP XYP 0.007026 0.40544 18.5841
164 5VC5 96M 0.01274 0.40005 18.5841
165 3A7R LAQ 0.01363 0.40837 21.2389
166 1GQG DCD 0.0001103 0.4843 22.1239
167 5FKP 6UL 0.01018 0.40579 22.7273
168 5IVE 6E8 0.0005726 0.46493 26.5487
169 5FLJ QUE 0.0009204 0.44213 30.0885
170 1ODM ASV 0.00005772 0.50077 31.8584
171 3NW7 LGV 0.01608 0.41268 38.0531
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