Structure of PDB 4glw Chain B

Receptor sequence
>4glwB (length=281) Species: 488223 (Streptococcus pneumoniae P1031) [Search protein sequence]
NKRMNELVALLNYRELVELETAYPEQVLADSPTHRVGGKVLDGFEKYSHQ
YPLYSLQDAFSREELDAFDARVRKEVAHPTYICELKIDGLSISLTYEKGI
LVAGVTRGDGSIGENITENLKRVKDIPLTLPEELDITVRGECYMPRASFD
QVNQARQENGEPEFANPRNAAAGTLRQLDTAVVAKRNLATFLYQEASPST
RDSQEKGLKYLEQLGFVVNPKRILAENIDEIWNFIQEVGQERENLPYDID
GVVIKVNDLASQEELGFTVKAPKWAVAYKFP
3D structure
PDB4glw Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity.
ChainB
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E107 K109 D111 Y216 K302
Catalytic site (residue number reindexed from 1) E84 K86 D88 Y193 K279
Enzyme Commision number 6.5.1.2: DNA ligase (NAD(+)).
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 0XT B Y77 L79 E107 Y216 K278 W297 Y54 L56 E84 Y193 K255 W274 MOAD: Kd=0.8uM
BS02 NMN B D53 G122 T152 L153 P154 E156 D30 G99 T129 L130 P131 E133
Gene Ontology
Molecular Function
GO:0003911 DNA ligase (NAD+) activity

View graph for
Molecular Function
External links
PDB RCSB:4glw, PDBe:4glw, PDBj:4glw
PDBsum4glw
PubMed23006603
UniProtC1CKI0|DNLJ_STRZP DNA ligase (Gene Name=ligA)

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