Structure of PDB 8hd2 Chain A Binding Site BS01

Receptor Information

>8hd2 Chain A (length=314) Species: 380242 (Candidatus Brocadia fulgida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FLTDRLIRFVEEEGISELLQSMRRFTIEEALEAFREKLGYKLQDRVRLRM
AKVIVDLLYECEYLEKKGERYFWIEGKGFVDFFERCIMYADKFLNGNPPL
YSFDSASTGIWEEFLGNTEFRFARSVLINLLFSGRNDNATVLALCYGPGF
DILQMQEQYNIRVTALDFKDVFQSQASRRILNPNSVKWVQSALWKGFGTP
LPFHDTMFDAVFFACADPYIPEESREFVYKDIFRVLKHGGILGIVTRSYP
DTERKYVKDPFVRKGTLCHDFSESVCEGWCGFYHPQESENLFKTIGYHVN
TIMLNASVWRLDKP

Ligand information

Ligand ID

SAH

InChI

InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1

InChIKey

ZJUKTBDSGOFHSH-WFMPWKQPSA-N

SMILES

Software	SMILES
CACTVS 3.341	N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N

Formula

C14 H20 N6 O5 S

Name

S-ADENOSYL-L-HOMOCYSTEINE

PDB chain

8hd2 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8hd2 Anammox Bacterial S -Adenosyl-l-Methionine Dependent Methyltransferase Crystal Structure and Its Interaction with Acyl Carrier Proteins.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	F138 R159 C180 Y181 G182 D186 D202 F203 W229 G231 F232 A249 C250
Binding residue (residue number reindexed from 1)	F103 R124 C145 Y146 G147 D151 D167 F168 W194 G196 F197 A214 C215
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:8hd2, PDBe:8hd2, PDBj:8hd2
PDBsum	8hd2
PubMed	36614187
UniProt	A0A0M2USF2

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