3N2B

1.8 angstrom resolution crystal structure of diaminopimelate decarboxylase (lysa) from vibrio cholerae.

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 306
  • Norm. En. per Res.: -5.1297
• Hub Node: A(2)

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	-240.2228	-323.7682	-1005.71	-1569.701	306	40	9	39293	23	96	99
A-C	-51.0571	18.9337	-300.172	-332.2954	92	13	2	9998	0	15	23
C-D	-258.4283	-276.2709	-1047.53	-1582.2292	317	35	11	40438	20	112	119

Interface residues

• A-B: ALA110A, ALA303A, ALA303B, ALA308A, ALA316B, ALA387A, ALA387B, ALA410A, ALA410B, ALA59A, ALA59B, ALA62A, ALA62B, ALA73A, ALA73B, ALA92A, ALA92B, ALA93A, ALA93B, ARG114A, ARG114B, ARG133A, ARG133B, ARG150A, ARG150B, ARG168A, ARG178A, ARG178B, ARG278B, ARG35A, ARG35B, ARG383A, ARG383B, ARG385A, ARG385B, ARG400A, ARG400B, ARG402A, ARG402B, ARG74A, ARG74B, ARG89A, ARG89B, ASN124B, ASN152A, ASN152B, ASN170A, ASN301B, ASN310A, ASN310B, ASN379A, ASN379B, ASN381A, ASN381B, ASN63A, ASN63B, ASN65A, ASN65B, ASN70A, ASN70B, ASP169A, ASP306A, ASP306B, ASP338A, ASP338B, ASP348A, ASP348B, ASP392A, ASP392B, ASP80A, ASP80B, CYS344A, CYS344B, GLN132A, GLN132B, GLN401A, GLN401B, GLU109A, GLU109B, GLU111A, GLU111B, GLU126A, GLU126B, GLU128A, GLU128B, GLU130A, GLU130B, GLU292A, GLU292B, GLU298B, GLU345A, GLU345B, GLU360A, GLU360B, GLU388A, GLU388B, GLU39A, GLU39B, GLU403A, GLU403B, GLU404A, GLU404B, GLU412A, GLU412B, GLU417A, GLU417B, GLU86A, GLU86B, GLU88A, GLU88B, GLY104A, GLY104B, GLY106A, GLY106B, GLY166A, GLY173A, GLY173B, GLY341A, GLY341B, GLY361A, GLY361B, GLY373A, GLY373B, GLY67A, GLY67B, GLY85A, GLY85B, GLY94A, GLY94B, GLY95A, GLY95B, HIS200A, HIS200B, HIS296A, HIS296B, HIS299B, ILE151B, ILE174A, ILE174B, ILE304A, ILE304B, ILE305A, ILE305B, ILE313A, ILE313B, ILE81A, ILE81B, LEU131A, LEU131B, LEU134A, LEU134B, LEU167A, LEU294A, LEU294B, LEU317B, LEU339B, LEU350B, LEU38A, LEU38B, LEU398A, LEU398B, LEU405A, LEU405B, LEU408A, LEU408B, LEU411A, LEU411B, LEU415A, LEU415B, LEU66A, LEU66B, LEU69A, LEU69B, LEU72A, LEU72B, LEU75B, LEU87A, LEU87B, LEU91A, LEU91B, LYS107A, LYS107B, LYS171A, LYS290A, LYS290B, LYS295A, LYS295B, LYS300B, LYS352A, LYS352B, LYS395A, LYS395B, LYS61A, LYS61B, MET112A, MET112B, MET309A, MET309B, MET376A, MET376B, MET390A, MET390B, PHE102A, PHE102B, PHE172A, PHE172B, PHE293A, PHE293B, PHE302A, PHE302B, PHE349A, PHE349B, PHE374A, PHE374B, PRO129A, PRO129B, PRO29A, PRO29B, PRO342A, PRO342B, PRO384A, PRO384B, PRO416A, PRO416B, SER103A, SER103B, SER127A, SER127B, SER164A, SER347A, SER347B, SER377A, SER377B, SER378A, SER378B, SER406A, SER406B, SER407A, SER407B, SER413A, SER413B, SER64A, SER64B, SER83A, SER83B, THR108A, THR108B, THR165A, THR175A, THR175B, THR28A, THR28B, THR297A, THR297B, THR346A, THR346B, THR375A, THR375B, THR382A, THR382B, THR396A, THR396B, THR71A, THR71B, TRP409A, TRP409B, TYR318B, TYR33A, TYR33B, TYR372A, TYR372B, TYR380A, TYR380B, TYR397A, TYR397B, VAL105A, VAL105B, VAL125A, VAL125B, VAL182B, VAL291A, VAL291B, VAL340A, VAL340B, VAL343A, VAL343B, VAL386A, VAL386B, VAL389A, VAL389B, VAL391A, VAL391B, VAL399A, VAL399B, VAL414A, VAL414B, VAL60A, VAL60B, VAL68A, VAL68B, VAL82A, VAL82B, VAL84A, VAL84B, VAL90A, VAL90B
• A-C: ALA0A, ALA0C, ALA20C, ALA282A, ALA282C, ALA284A, ALA284C, ALA334A, ARG328A, ARG328C, ARG330A, ARG330C, ARG367A, ARG367C, ARG40A, ARG40C, ASN-1A, ASN-1C, ASN-7A, ASN283A, ASN283C, ASN5A, ASN5C, ASP2A, ASP2C, ASP323A, ASP323C, ASP355A, ASP9A, ASP9C, GLN-3A, GLN-3C, GLN11A, GLN11C, GLN322A, GLN322C, GLN331A, GLN331C, GLN7A, GLN7C, GLU8A, GLU8C, GLY10A, GLY10C, GLY285A, GLY285C, GLY332A, GLY332C, HIS41A, HIS41C, ILE324A, ILE324C, ILE325A, ILE325C, LEU-6A, LEU-6C, LEU12A, LEU12C, LEU356A, LEU356C, MET1A, MET1C, PHE-4A, PHE-4C, PHE4A, PHE4C, PRO326A, PRO326C, PRO329A, PRO329C, SER-2A, SER-2C, SER368A, SER368C, SER369A, SER369C, THR37A, THR37C, TRP13A, TRP13C, TRP321C, TYR-5A, TYR-5C, TYR3A, TYR3C, TYR6A, TYR6C, VAL286A, VAL286C, VAL357A, VAL357C, VAL366C
• C-D: ALA303C, ALA307C, ALA308C, ALA387C, ALA387D, ALA410C, ALA410D, ALA59C, ALA59D, ALA62C, ALA62D, ALA73C, ALA73D, ALA92C, ALA92D, ALA93C, ALA93D, ARG114C, ARG114D, ARG133C, ARG133D, ARG150C, ARG150D, ARG168C, ARG168D, ARG178C, ARG178D, ARG278C, ARG278D, ARG35C, ARG35D, ARG383C, ARG383D, ARG385C, ARG385D, ARG400C, ARG400D, ARG402C, ARG402D, ARG74C, ARG74D, ARG89C, ARG89D, ASN124C, ASN152C, ASN152D, ASN170C, ASN170D, ASN301C, ASN301D, ASN310C, ASN310D, ASN379C, ASN379D, ASN381C, ASN381D, ASN63C, ASN63D, ASN65C, ASN65D, ASN70C, ASN70D, ASP169C, ASP169D, ASP177D, ASP306C, ASP306D, ASP338C, ASP338D, ASP348C, ASP348D, ASP392C, ASP392D, ASP80C, ASP80D, CYS344C, CYS344D, GLN132C, GLN132D, GLN204C, GLN204D, GLN401C, GLN401D, GLU109C, GLU109D, GLU111C, GLU111D, GLU126C, GLU126D, GLU128C, GLU128D, GLU130C, GLU130D, GLU275C, GLU292C, GLU292D, GLU298C, GLU298D, GLU345C, GLU345D, GLU360C, GLU360D, GLU388C, GLU388D, GLU39C, GLU39D, GLU403C, GLU403D, GLU404C, GLU404D, GLU412C, GLU412D, GLU417C, GLU417D, GLU86C, GLU86D, GLU88C, GLU88D, GLY104C, GLY104D, GLY106C, GLY106D, GLY166C, GLY166D, GLY173C, GLY173D, GLY341C, GLY341D, GLY361C, GLY361D, GLY373C, GLY373D, GLY67C, GLY67D, GLY85C, GLY85D, GLY94C, GLY94D, GLY95C, GLY95D, HIS200C, HIS200D, HIS296C, HIS296D, HIS299C, HIS299D, ILE151D, ILE174C, ILE174D, ILE304C, ILE304D, ILE305C, ILE305D, ILE313C, ILE313D, ILE81C, ILE81D, LEU131C, LEU131D, LEU134C, LEU134D, LEU167C, LEU167D, LEU294C, LEU294D, LEU339C, LEU339D, LEU350C, LEU350D, LEU38C, LEU38D, LEU398C, LEU398D, LEU405C, LEU405D, LEU408C, LEU408D, LEU411C, LEU411D, LEU415C, LEU415D, LEU66C, LEU66D, LEU69C, LEU69D, LEU72C, LEU72D, LEU75D, LEU87C, LEU87D, LEU91C, LEU91D, LYS107C, LYS107D, LYS171C, LYS171D, LYS290C, LYS290D, LYS295C, LYS295D, LYS300C, LYS300D, LYS352C, LYS395C, LYS395D, LYS61C, LYS61D, MET112C, MET112D, MET309C, MET309D, MET376C, MET376D, MET390C, MET390D, PHE102C, PHE102D, PHE172C, PHE172D, PHE293C, PHE293D, PHE302C, PHE302D, PHE349C, PHE349D, PHE374C, PHE374D, PRO129C, PRO129D, PRO29C, PRO29D, PRO342C, PRO342D, PRO384C, PRO384D, PRO416C, PRO416D, SER103C, SER103D, SER127C, SER127D, SER347C, SER347D, SER377C, SER377D, SER378C, SER378D, SER406C, SER406D, SER407C, SER407D, SER413C, SER413D, SER64C, SER64D, SER83C, SER83D, THR108C, THR108D, THR165C, THR165D, THR175C, THR175D, THR28C, THR28D, THR297C, THR297D, THR346C, THR346D, THR375C, THR375D, THR382C, THR382D, THR396C, THR396D, THR71C, THR71D, TRP409C, TRP409D, TYR33C, TYR33D, TYR372C, TYR372D, TYR380C, TYR380D, TYR397C, TYR397D, VAL105C, VAL105D, VAL125C, VAL125D, VAL182D, VAL291C, VAL291D, VAL340C, VAL340D, VAL343C, VAL343D, VAL386C, VAL386D, VAL389C, VAL391C, VAL391D, VAL399C, VAL399D, VAL414C, VAL414D, VAL60C, VAL60D, VAL68C, VAL68D, VAL82C, VAL82D, VAL84C, VAL84D, VAL90C, VAL90D