Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5IXS

Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004457	molecular_function	lactate dehydrogenase activity
A	0004459	molecular_function	L-lactate dehydrogenase (NAD+) activity
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005829	cellular_component	cytosol
A	0006089	biological_process	lactate metabolic process
A	0006096	biological_process	glycolytic process
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
A	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A	0019752	biological_process	carboxylic acid metabolic process
A	0035686	cellular_component	sperm fibrous sheath
A	0042802	molecular_function	identical protein binding
A	0042867	biological_process	pyruvate catabolic process
A	0045296	molecular_function	cadherin binding
A	0070062	cellular_component	extracellular exosome
B	0003824	molecular_function	catalytic activity
B	0004457	molecular_function	lactate dehydrogenase activity
B	0004459	molecular_function	L-lactate dehydrogenase (NAD+) activity
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005829	cellular_component	cytosol
B	0006089	biological_process	lactate metabolic process
B	0006096	biological_process	glycolytic process
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
B	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B	0019752	biological_process	carboxylic acid metabolic process
B	0035686	cellular_component	sperm fibrous sheath
B	0042802	molecular_function	identical protein binding
B	0042867	biological_process	pyruvate catabolic process
B	0045296	molecular_function	cadherin binding
B	0070062	cellular_component	extracellular exosome
C	0003824	molecular_function	catalytic activity
C	0004457	molecular_function	lactate dehydrogenase activity
C	0004459	molecular_function	L-lactate dehydrogenase (NAD+) activity
C	0005515	molecular_function	protein binding
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005829	cellular_component	cytosol
C	0006089	biological_process	lactate metabolic process
C	0006096	biological_process	glycolytic process
C	0016020	cellular_component	membrane
C	0016491	molecular_function	oxidoreductase activity
C	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C	0019752	biological_process	carboxylic acid metabolic process
C	0035686	cellular_component	sperm fibrous sheath
C	0042802	molecular_function	identical protein binding
C	0042867	biological_process	pyruvate catabolic process
C	0045296	molecular_function	cadherin binding
C	0070062	cellular_component	extracellular exosome
D	0003824	molecular_function	catalytic activity
D	0004457	molecular_function	lactate dehydrogenase activity
D	0004459	molecular_function	L-lactate dehydrogenase (NAD+) activity
D	0005515	molecular_function	protein binding
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005829	cellular_component	cytosol
D	0006089	biological_process	lactate metabolic process
D	0006096	biological_process	glycolytic process
D	0016020	cellular_component	membrane
D	0016491	molecular_function	oxidoreductase activity
D	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
D	0019752	biological_process	carboxylic acid metabolic process
D	0035686	cellular_component	sperm fibrous sheath
D	0042802	molecular_function	identical protein binding
D	0042867	biological_process	pyruvate catabolic process
D	0045296	molecular_function	cadherin binding
D	0070062	cellular_component	extracellular exosome

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue EPE A 401

Chain	Residue
A	TRP147
A	GLY151
A	PRO153
A	LYS154

site_id	AC2
Number of Residues	24
Details	binding site for residue TXD A 402

Chain	Residue
A	ILE53
A	THR94
A	ALA95
A	GLY96
A	ALA97
A	ARG98
A	ILE115
A	VAL135
A	ASN137
A	LEU164
A	HIS192
A	THR247
A	ILE251
A	6EY403
A	HOH502
A	HOH507
A	HOH513
A	HOH579
A	HOH592
A	GLY28
A	ALA29
A	VAL30
A	ASP51
A	VAL52

site_id	AC3
Number of Residues	13
Details	binding site for residue 6EY A 403

Chain	Residue
A	ARG98
A	ASN137
A	ASP165
A	ARG168
A	HIS192
A	GLY193
A	ALA237
A	TYR238
A	ILE241
A	THR247
A	TXD402
A	HOH502
A	HOH599

site_id	AC4
Number of Residues	7
Details	binding site for residue SO4 A 404

Chain	Residue
A	ARG170
A	HIS185
A	HOH536
A	HOH538
A	HOH622
C	HIS185
C	HOH522

site_id	AC5
Number of Residues	5
Details	binding site for residue EPE B 401

Chain	Residue
B	TRP147
B	GLY151
B	PHE152
B	PRO153
B	LYS154

site_id	AC6
Number of Residues	24
Details	binding site for residue TXD B 402

Chain	Residue
B	GLY28
B	ALA29
B	VAL30
B	ASP51
B	VAL52
B	ILE53
B	LYS56
B	THR94
B	ALA95
B	ALA97
B	ARG98
B	ILE115
B	VAL135
B	ASN137
B	HIS192
B	THR247
B	ILE251
B	6EY403
B	HOH512
B	HOH516
B	HOH521
B	HOH562
B	HOH589
D	GLY102

site_id	AC7
Number of Residues	12
Details	binding site for residue 6EY B 403

Chain	Residue
B	ARG98
B	ASN137
B	ASP165
B	ARG168
B	HIS192
B	GLY193
B	ALA237
B	TYR238
B	ILE241
B	TYR246
B	THR247
B	TXD402

site_id	AC8
Number of Residues	8
Details	binding site for residue SO4 B 404

Chain	Residue
B	ARG170
B	HIS185
B	HOH553
B	HOH573
B	HOH585
B	HOH590
D	HIS185
D	HOH947

site_id	AC9
Number of Residues	5
Details	binding site for residue EPE C 401

Chain	Residue
C	PRO153
C	LYS154
C	HOH515
C	TRP147
C	GLY151

site_id	AD1
Number of Residues	22
Details	binding site for residue NAI C 402

Chain	Residue
C	GLY28
C	ALA29
C	VAL30
C	ASP51
C	VAL52
C	ILE53
C	THR94
C	ALA95
C	GLY96
C	ARG98
C	ILE115
C	VAL135
C	SER136
C	ASN137
C	HIS192
C	THR247
C	ILE251
C	6EY403
C	HOH501
C	HOH507
C	HOH530
C	HOH549

site_id	AD2
Number of Residues	13
Details	binding site for residue 6EY C 403

Chain	Residue
C	ARG98
C	ASN137
C	ASP165
C	ARG168
C	HIS192
C	GLY193
C	ALA237
C	TYR238
C	ILE241
C	TYR246
C	THR247
C	NAI402
C	HOH501

site_id	AD3
Number of Residues	7
Details	binding site for residue SO4 C 404

Chain	Residue
A	HIS185
A	HOH557
C	ARG170
C	HIS185
C	HOH503
C	HOH537
C	HOH553

site_id	AD4
Number of Residues	27
Details	binding site for residue TXD D 801

Chain	Residue
D	GLY28
D	ALA29
D	VAL30
D	ASP51
D	VAL52
D	ILE53
D	THR94
D	ALA95
D	GLY96
D	ALA97
D	ARG98
D	ILE115
D	ILE119
D	VAL135
D	SER136
D	ASN137
D	LEU164
D	HIS192
D	THR247
D	ILE251
D	6EY802
D	HOH903
D	HOH907
D	HOH917
D	HOH957
D	HOH1019
D	HOH1024

site_id	AD5
Number of Residues	14
Details	binding site for residue 6EY D 802

Chain	Residue
D	ARG98
D	GLN99
D	ASN137
D	ASP165
D	ARG168
D	HIS192
D	GLY193
D	ALA237
D	TYR238
D	ILE241
D	THR247
D	TXD801
D	HOH907
D	HOH931

site_id	AD6
Number of Residues	7
Details	binding site for residue SO4 D 803

Chain	Residue
B	HIS185
D	ARG170
D	HIS185
D	HOH932
D	HOH964
D	HOH968
D	HOH970

Functional Information from PROSITE/UniProt

site_id	PS00064
Number of Residues	7
Details	L_LDH L-lactate dehydrogenase active site. LGEHGDS

Chain	Residue	Details
A	LEU189-SER195

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	116
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11276087","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	14
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Modified residue: {"description":"N-acetylalanine","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAR-2005","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V."]}},{"source":"PubMed","id":"19413330","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"22223895","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	12
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P06151","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	12
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	4
Details	Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	12
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P06151","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	4
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"P06151","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	8
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P04642","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI13
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI14
Number of Residues	8
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)