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Structure of PDB 4c20 Chain A Binding Site BS01

Receptor Information >4c20 Chain A (length=587) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] IQHPRIGIRPTIDGRRQGVRESLEVQTMNMAKSVADLISSTLKYPDGEPV ECVISPSTIGRVPEAAASHELFKKSNVCATITVTPCWCYGSETMDMSPDI PHAIWGFNGTERPGAVYLAAVLASHAQKGIPAFGIYGRDVQEASDTDIPE DVKEKLLRYARAALATGLMRDTAYLSMGSVSMGIGGSIVNPDFFQEYLGM RNESVDMTEFTRRMDRGIYDPEEFERALKWVKENVKEGFDHNREDLVLSR EEKDRQWEFVIKMFMIGRDLMVGNPRLAELGFEEEAVGHHALVAGFQGQR QWTDHFPNGDFMETFLNTQFDWNGIRKPFVFATENDSLNGVSMLFNYLLT NTPQIFADVRTYWSPEAVKRVTGHTLEGRAAAGFLHLINSGSCTLDGTGQ ATRDGKPIMKPFWELEESEVQAMLENTDFPPANREYFRGGGFSTRFLTKG DMPVTMVRLNLLKGVGPVLQIAEGYTLELPEDVHHTLDNRTDPGWPTTWF APRLTGKGAFKSVYDVMNNWGANHGAITYGHIGADLITLASMLRIPVNMH NVPEEDIFRPKNWSLFGTEDLESADYRACQLLGPLHK

Ligand information Ligand ID MN InChI InChI=1S/Mn/q+2 InChIKey WAEMQWOKJMHJLA-UHFFFAOYSA-N SMILES Software SMILES ACDLabs 10.04 OpenEye OEToolkits 1.5.0 [Mn+2] CACTVS 3.341 [Mn++] Formula Mn Name MANGANESE (II) ION ChEMBL DrugBank DB06757 ZINC PDB chain 4c20 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 4c20 Structural and Functional Analysis of Fucose-Processing Enzymes from Streptococcus Pneumoniae. Resolution 2.41 Å Binding residue (original residue number in PDB) E335 D359 H525 Binding residue (residue number reindexed from 1) E334 D358 H524 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) E335 D359 H525 Catalytic site (residue number reindexed from 1) E334 D358 H524 Enzyme Commision number 5.3.1.25: L-fucose isomerase.

Gene Ontology Molecular Function GO:0008736 L-fucose isomerase activity GO:0008790 arabinose isomerase activity GO:0016853 isomerase activity GO:0016861 intramolecular oxidoreductase activity, interconverting aldoses and ketoses GO:0030145 manganese ion binding GO:0046872 metal ion binding

	Biological Process
GO:0005996	monosaccharide metabolic process
GO:0006004	fucose metabolic process
GO:0019317	fucose catabolic process
GO:0019571	D-arabinose catabolic process
GO:0042355	L-fucose catabolic process

	Cellular Component
GO:0005737	cytoplasm

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