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Table 1 The positive dataset, composed of 80 non-redundant protein-hexose binding sites

From: Automated identification of protein-ligand interaction features using Inductive Logic Programming: a hexose binding case study

Hexose

PDB ID

Ligand

PDB ID

Ligand

Glucose

1BDG

GLC-501

1ISY

GLC-1471

 

1EX1

GLC-617

1J0Y

GLC-1601

 

1GJW

GLC-701

1JG9

GLC-2000

 

1GWW

GLC-1371

1K1W

GLC-653

 

1H5U

GLC-998

1KME

GLC-501

 

1HIZ

GLC-1381

1MMU

GLC-1

 

1HIZ

GLC-1382

1NF5

GLC-125

 

1HKC

GLC-915

1NSZ

GLC-1400

 

1HSJ

GLC-671

1PWB

GLC-405

 

1HSJ

GLC-672

1Q33

GLC-400

 

1I8A

GLC-189

1RYD

GLC-601

 

1ISY

GLC-1461

1S5M

AGC-1001

 

1SZ2

BGC-1001

1SZ2

BGC-2001

 

1U2S

GLC-1

1UA4

GLC-1457

 

1V2B

AGC-1203

1WOQ

GLC-290

 

1Z8D

GLC-901

2BQP

GLC-337

 

2BVW

GLC-602

2BVW

GLC-603

 

2F2E

AGC-401

  

Galactose

1AXZ

GLA-401

1MUQ

GAL-301

 

1DIW

GAL-1400

1NS0

GAL-1400

 

1DJR

GAL-1104

1NS2

GAL-1400

 

1DZQ

GAL-502

1NS8

GAL-1400

 

1EUU

GAL-2

1NSM

GAL-1400

 

1ISZ

GAL-461

1NSU

GAL-1400

 

1ISZ

GAL-471

1NSX

GAL-1400

 

1JZ7

GAL-2001

1OKO

GLB-901

 

1KWK

GAL-701

1OQL

GAL-265

 

1L7K

GAL-500

1OQL

GAL-267

 

1LTI

GAL-104

1PIE

GAL-1

 

1R47

GAL-1101

1S5D

GAL-704

 

1S5E

GAL-751

1S5F

GAL-104

 

1SO0

GAL-500

1TLG

GAL-1

 

1UAS

GAL-1501

1UGW

GAL-200

 

1XC6

GAL-9011

1ZHJ

GAL-1

 

2GAL

GAL-998

  

Mannose

1BQP

MAN-402

1KZB

MAN-1501

 

1KLF

MAN-1500

1KZC

MAN-1001

 

1KX1

MAN-20

1KZE

MAN-1001

 

1KZA

MAN-1001

1OP3

MAN-503

 

1OUR

MAN-301

1QMO

MAN-302

 

1U4J

MAN-1008

1U4J

MAN-1009

  1. The table lists the protein’s PDB ID and the hexose ligand considered.