3K9D

crystal structure of probable aldehyde dehydrogenase from listeria monocytogenes egd-e

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 34
  • Norm. En. per Res.: -6.7917
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	0.0	0.0	-2.9042	-2.9042	6	0	0	307	0	0	1
A-C	-254.9166	-133.3176	-730.252	-1118.4863	286	36	30	31314	17	75	84
A-D	-52.8144	-54.6221	-123.482	-230.9184	34	3	4	4182	10	26	26
B-C	-44.8581	-47.1864	-129.471	-221.5154	35	5	4	4269	10	25	25
B-D	-257.0881	-97.2713	-711.141	-1065.5004	286	48	32	31161	16	72	78
C-D	0.0	0.0	-2.8889	-2.8889	6	0	0	333	0	0	3

Interface residues

• A-B: ARG293A, ARG293B, ASN295A, ASN295B, PRO294A, PRO294B
• A-C: ALA106A, ALA106C, ALA193A, ALA193C, ALA206A, ALA206C, ALA207A, ALA207C, ALA214A, ALA214C, ALA29A, ALA29C, ALA30A, ALA30C, ALA371A, ALA371C, ALA389A, ALA389C, ALA404A, ALA404C, ALA410A, ALA410C, ALA424A, ALA424C, ALA446A, ALA446C, ARG234A, ARG234C, ARG323A, ARG323C, ARG386A, ARG386C, ARG396A, ARG396C, ARG443A, ARG443C, ARG444A, ARG444C, ARG456A, ARG456C, ASN137A, ASN137C, ASN400A, ASN400C, ASN413A, ASN413C, ASN433A, ASN433C, ASN438A, ASN438C, ASN441A, ASN441C, ASN98A, ASN98C, ASP191A, ASP191C, ASP241A, ASP241C, ASP246A, ASP246C, ASP432A, ASP432C, ASP454A, ASP454C, ASP69A, ASP69C, ASP97A, ASP97C, CYS422A, CYS422C, GLN68A, GLN68C, GLU104A, GLU104C, GLU383A, GLU387A, GLU387C, GLU437A, GLU451A, GLU451C, GLU453A, GLU453C, GLU457C, GLU96A, GLU96C, GLU99A, GLU99C, GLY110A, GLY110C, GLY211A, GLY211C, GLY216A, GLY216C, GLY372A, GLY372C, GLY406A, GLY406C, GLY407A, GLY407C, GLY409A, GLY409C, GLY421A, GLY421C, GLY423A, GLY423C, GLY426A, GLY426C, GLY427A, GLY427C, GLY448A, GLY448C, GLY92A, GLY92C, HIS238A, HIS238C, HIS368C, HIS373A, HIS373C, HIS378A, HIS378C, HIS80A, HIS80C, ILE195A, ILE195C, ILE215A, ILE215C, ILE376A, ILE376C, ILE377A, ILE377C, ILE385A, ILE385C, ILE408A, ILE408C, ILE434A, ILE434C, ILE442A, ILE442C, ILE445A, ILE445C, ILE455A, ILE455C, ILE66C, ILE72A, ILE72C, ILE91A, ILE91C, LEU109A, LEU109C, LEU240A, LEU240C, LEU366A, LEU375A, LEU375C, LEU390A, LEU390C, LEU397A, LEU397C, LEU398A, LEU398C, LEU405A, LEU405C, LEU414A, LEU414C, LEU439A, LEU439C, LEU450A, LEU450C, LEU452A, LEU452C, LEU94A, LEU94C, LYS100A, LYS100C, LYS101A, LYS101C, LYS188A, LYS188C, LYS190A, LYS190C, LYS205A, LYS205C, LYS237A, LYS237C, LYS26A, LYS26C, LYS382A, LYS382C, LYS391A, LYS391C, LYS392A, LYS392C, LYS73A, LYS73C, LYS95A, LYS95C, MET103A, MET103C, MET363A, MET93A, MET93C, PHE245A, PHE245C, PHE388A, PHE388C, PHE440A, PHE440C, PHE76A, PHE76C, PRO108A, PRO108C, PRO213A, PRO213C, PRO393A, PRO393C, PRO402A, PRO402C, PRO416A, PRO416C, SER209A, SER209C, SER210A, SER210C, SER242A, SER242C, SER379A, SER379C, SER395A, SER395C, SER428A, SER428C, SER429A, SER429C, SER430A, SER430C, SER431A, SER431C, THR192A, THR192C, THR212A, THR212C, THR244A, THR244C, THR374A, THR374C, THR401A, THR401C, THR411A, THR411C, THR412A, THR412C, THR447A, THR447C, TYR208A, TYR208C, TYR367A, TYR367C, TYR48C, TYR84A, TYR84C, VAL102A, VAL102C, VAL105A, VAL105C, VAL107A, VAL107C, VAL111A, VAL111C, VAL194A, VAL194C, VAL204A, VAL204C, VAL394A, VAL394C, VAL399A, VAL399C, VAL415A, VAL415C, VAL425A, VAL425C, VAL449A, VAL449C, VAL71A, VAL71C, VAL75A, VAL75C
• A-D: ARG15A, ARG15D, ARG9A, ARG9D, ASN16A, ASN16D, ASP5A, ASP5D, ASP7A, ASP7D, GLN12A, GLN12D, GLN181A, GLN181D, GLN185A, GLN185D, GLU13A, GLU13D, GLU19A, GLU4A, GLU4D, HIS189A, HIS189D, ILE11A, ILE11D, LEU3A, LEU8A, LEU8D, LYS6A, LYS6D, SER10A, SER10D, VAL14A, VAL14D
• B-C: ARG15B, ARG15C, ARG9B, ARG9C, ASN16B, ASN16C, ASP5B, ASP5C, ASP7B, ASP7C, GLN12B, GLN12C, GLN181B, GLN181C, GLN185B, GLN185C, GLU13B, GLU13C, GLU19B, GLU19C, GLU4B, GLU4C, HIS189B, HIS189C, ILE11B, ILE11C, LEU3B, LEU8B, LEU8C, LYS6B, LYS6C, SER10B, SER10C, VAL14B, VAL14C
• B-D: ALA106B, ALA106D, ALA193B, ALA193D, ALA206B, ALA206D, ALA207B, ALA207D, ALA214B, ALA214D, ALA29B, ALA29D, ALA30B, ALA30D, ALA371B, ALA389B, ALA389D, ALA404B, ALA404D, ALA410B, ALA410D, ALA424B, ALA424D, ALA446B, ALA446D, ARG234B, ARG234D, ARG323B, ARG323D, ARG386B, ARG386D, ARG396B, ARG396D, ARG443B, ARG443D, ARG444B, ARG444D, ARG456B, ARG456D, ASN137B, ASN137D, ASN400B, ASN400D, ASN413B, ASN413D, ASN433B, ASN433D, ASN438B, ASN438D, ASN441B, ASN441D, ASP191B, ASP191D, ASP241B, ASP241D, ASP246B, ASP246D, ASP432B, ASP432D, ASP454B, ASP454D, ASP69B, ASP69D, ASP97B, ASP97D, CYS422B, CYS422D, GLN68B, GLN68D, GLU104B, GLU104D, GLU380B, GLU380D, GLU383B, GLU387B, GLU387D, GLU437B, GLU451B, GLU451D, GLU453B, GLU453D, GLU96B, GLU96D, GLU99B, GLU99D, GLY110B, GLY110D, GLY211B, GLY211D, GLY216B, GLY216D, GLY372B, GLY372D, GLY406B, GLY406D, GLY407B, GLY407D, GLY409B, GLY409D, GLY421B, GLY421D, GLY423B, GLY423D, GLY426B, GLY426D, GLY427B, GLY427D, GLY448B, GLY448D, GLY92B, GLY92D, HIS238B, HIS238D, HIS373B, HIS373D, HIS378B, HIS378D, HIS80B, HIS80D, ILE195B, ILE195D, ILE215B, ILE215D, ILE376B, ILE376D, ILE377B, ILE377D, ILE384D, ILE385B, ILE385D, ILE408B, ILE408D, ILE434B, ILE434D, ILE442B, ILE442D, ILE445B, ILE445D, ILE455B, ILE455D, ILE72B, ILE72D, ILE91B, ILE91D, LEU109B, LEU109D, LEU240B, LEU240D, LEU366B, LEU366D, LEU375B, LEU375D, LEU390B, LEU390D, LEU397B, LEU397D, LEU398B, LEU398D, LEU405B, LEU405D, LEU414B, LEU414D, LEU439B, LEU439D, LEU450B, LEU450D, LEU452B, LEU452D, LEU94B, LEU94D, LYS100B, LYS100D, LYS101B, LYS101D, LYS188B, LYS188D, LYS190B, LYS190D, LYS205B, LYS205D, LYS237B, LYS237D, LYS243B, LYS26B, LYS26D, LYS382B, LYS382D, LYS391B, LYS391D, LYS392B, LYS392D, LYS73B, LYS73D, LYS95B, MET103B, MET103D, MET363B, MET93B, MET93D, PHE245B, PHE245D, PHE388B, PHE388D, PHE440B, PHE440D, PHE76B, PHE76D, PRO108B, PRO108D, PRO213B, PRO213D, PRO393B, PRO393D, PRO402B, PRO402D, PRO416D, SER209B, SER209D, SER210B, SER210D, SER242B, SER242D, SER32B, SER32D, SER379B, SER379D, SER395B, SER395D, SER428B, SER428D, SER429B, SER429D, SER430B, SER430D, SER431B, SER431D, THR192B, THR192D, THR212B, THR212D, THR244B, THR244D, THR374B, THR374D, THR401B, THR401D, THR411B, THR411D, THR412B, THR412D, THR447B, THR447D, TYR208B, TYR208D, TYR367B, TYR367D, TYR48B, TYR48D, TYR84B, TYR84D, VAL102B, VAL102D, VAL105B, VAL105D, VAL107B, VAL107D, VAL111B, VAL111D, VAL194B, VAL194D, VAL204B, VAL204D, VAL394B, VAL394D, VAL399B, VAL399D, VAL415B, VAL415D, VAL425B, VAL425D, VAL449B, VAL449D, VAL71B, VAL71D, VAL75B, VAL75D
• C-D: ARG293C, ARG293D, ASN295C, ASN295D, PRO294C, PRO294D