3K28

crystal structure of a glutamate-1-semialdehyde aminotransferase from bacillus anthracis with bound pyridoxal 5'phosphate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 359
  • Norm. En. per Res.: -4.4105
• 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	-224.9615	-90.849	-1267.57	-1583.3804	359	32	28	49465	7	94	78
A-C	-5.4795	8.062	-18.8145	-16.232	47	0	0	1151	0	11	12
A-D	-5.1444	9.9218	-64.861	-60.0836	55	2	0	2825	0	21	25
B-C	-18.9819	-1.2366	-62.2137	-82.4322	61	5	0	2903	2	22	26
B-D	0.0	0.0	-0.0041	-0.0041	2	0	0	4	0	0	1
C-D	-204.6399	-107.8056	-1227.87	-1540.3155	356	32	27	48489	9	93	79

Interface residues

• A-B: ALA10A, ALA10B, ALA121A, ALA121B, ALA125A, ALA125B, ALA129A, ALA129B, ALA14A, ALA14B, ALA156A, ALA156B, ALA176A, ALA176B, ALA202A, ALA202B, ALA278A, ALA278B, ALA283A, ALA283B, ALA28A, ALA28B, ALA290A, ALA290B, ALA298A, ALA298B, ALA307A, ALA307B, ALA310A, ALA310B, ALA70A, ALA70B, ALA80A, ALA80B, ALA82A, ALA82B, ALA90A, ALA90B, ALA99A, ALA99B, ALA9A, ALA9B, ARG113A, ARG113B, ARG127A, ARG127B, ARG130A, ARG130B, ARG135A, ARG135B, ARG27A, ARG27B, ARG287A, ARG287B, ARG41A, ARG41B, ARG84A, ARG84B, ASN116A, ASN116B, ASN136A, ASN136B, ASN178A, ASN178B, ASN212A, ASN212B, ASN23A, ASN23B, ASN304A, ASN304B, ASN35A, ASN35B, ASN71A, ASN71B, ASN96A, ASN96B, ASP150A, ASP150B, ASP167A, ASP167B, ASP16A, ASP16B, ASP200A, ASP49A, ASP49B, ASP57A, ASP57B, ASP72A, ASP72B, GLN15A, GLN15B, GLN288A, GLN288B, GLN297A, GLN297B, GLU104A, GLU104B, GLU110A, GLU110B, GLU120A, GLU120B, GLU12A, GLU12B, GLU13A, GLU13B, GLU173A, GLU173B, GLU40A, GLU40B, GLU76A, GLU76B, GLU83A, GLU83B, GLU93A, GLU93B, GLU95A, GLU95B, GLY118A, GLY118B, GLY131A, GLY131B, GLY134A, GLY134B, GLY147A, GLY147B, GLY149A, GLY149B, GLY157A, GLY157B, GLY159A, GLY159B, GLY170A, GLY170B, GLY174A, GLY174B, GLY20A, GLY20B, GLY21A, GLY21B, GLY267A, GLY267B, GLY271A, GLY271B, GLY272A, GLY272B, GLY273A, GLY273B, GLY277A, GLY277B, GLY280A, GLY280B, GLY281A, GLY281B, GLY293A, GLY293B, GLY299A, GLY299B, GLY303A, GLY303B, GLY42A, GLY42B, GLY44A, GLY44B, GLY63A, GLY63B, GLY68A, GLY68B, GLY85A, GLY85B, GLY89A, GLY89B, HIS146A, HIS148A, HIS148B, HIS69A, HIS69B, ILE103A, ILE103B, ILE109A, ILE109B, ILE111A, ILE111B, ILE138A, ILE138B, ILE285A, ILE285B, ILE295A, ILE295B, ILE50A, ILE50B, ILE94A, ILE94B, LEU101A, LEU101B, LEU126A, LEU126B, LEU128A, LEU128B, LEU152A, LEU152B, LEU153A, LEU153B, LEU17A, LEU17B, LEU274A, LEU274B, LEU301A, LEU301B, LEU306A, LEU306B, LEU37A, LEU37B, LEU60A, LEU60B, LEU65A, LEU65B, LEU78A, LEU78B, LEU98A, LEU98B, LYS100A, LYS100B, LYS137A, LYS137B, LYS177A, LYS177B, LYS268A, LYS268B, LYS30A, LYS30B, LYS43A, LYS43B, LYS46A, LYS46B, LYS6A, LYS6B, LYS79A, LYS79B, LYS97A, LYS97B, PHE11A, PHE11B, PHE29A, PHE29B, PHE38A, PHE38B, PHE393A, PHE393B, PHE88A, PHE88B, PRO166A, PRO169A, PRO169B, PRO172A, PRO172B, PRO19A, PRO19B, PRO25A, PRO25B, PRO275A, PRO275B, PRO291A, PRO291B, PRO294A, PRO294B, PRO305A, PRO305B, PRO36A, PRO36B, PRO395A, PRO395B, PRO396A, PRO396B, PRO64A, PRO64B, PRO91A, PRO91B, SER117A, SER117B, SER124A, SER124B, SER151A, SER151B, SER158A, SER158B, SER168A, SER168B, SER24A, SER24B, SER292A, SER292B, SER302A, SER302B, SER61A, SER61B, SER7A, SER7B, SER87A, SER87B, THR119A, THR119B, THR122A, THR122B, THR133A, THR133B, THR300A, THR300B, THR86A, THR86B, THR92A, THR92B, TRP62A, TRP62B, TYR132A, TYR132B, TYR145A, TYR145B, TYR279A, TYR279B, TYR296A, TYR296B, TYR384A, TYR384B, TYR48A, TYR48B, VAL102A, VAL102B, VAL112A, VAL112B, VAL115A, VAL115B, VAL160A, VAL160B, VAL171A, VAL171B, VAL175A, VAL175B, VAL22A, VAL22B, VAL242A, VAL242B, VAL269A, VAL269B, VAL26A, VAL26B, VAL276A, VAL276B, VAL289A, VAL289B, VAL47A, VAL47B, VAL59A, VAL59B, VAL74A, VAL74B, VAL75A, VAL75B, VAL81A, VAL81B
• A-C: ALA176C, ALA381A, ALA381C, ARG385A, ARG385C, ASN376A, ASN376C, ASP167A, ASP167C, ASP16A, ASP16C, GLN15A, GLN15C, GLN378A, GLN378C, GLU12C, GLU173A, GLU173C, GLY170A, GLY170C, GLY33A, GLY33C, ILE154C, LEU377A, LEU377C, LEU427A, LEU427C, LYS30A, LYS30C, LYS373A, LYS373C, LYS428A, LYS428C, PHE379A, PHE379C, PHE380C, PHE399C, PRO166A, PRO169A, PRO169C, PRO172C, SER168A, SER168C, SER31C, SER375C, VAL171A, VAL171C
• A-D: ALA129D, ALA283D, ALA28A, ALA381A, ALA382A, ALA9A, ARG130D, ARG135D, ARG287D, ARG2A, ARG385A, ASN136D, ASN35A, ASP199D, ASP200D, ASP5A, GLN15A, GLN288D, GLN378A, GLU110D, GLU12A, GLU231D, GLU284D, GLU386A, GLU389A, GLY131D, GLY134D, GLY20A, GLY21A, GLY234D, GLY293D, GLY33A, ILE111D, ILE285D, ILE8A, LEU427A, LYS177D, LYS282D, LYS30A, LYS3A, LYS426A, LYS428A, PHE11A, PHE29A, PHE38A, PHE4A, PRO291D, PRO294D, PRO36A, SER292D, SER31A, SER7A, THR133D, TYR132D, VAL32A
• B-C: ALA129B, ALA283B, ALA28C, ALA381C, ALA382C, ALA9C, ARG130B, ARG135B, ARG287B, ARG2C, ARG385C, ASN136B, ASN35C, ASP199B, ASP200B, ASP5C, GLN15C, GLN232B, GLN288B, GLN378C, GLN390C, GLU110B, GLU12C, GLU231B, GLU284B, GLU386C, GLU389C, GLY131B, GLY134B, GLY198B, GLY20C, GLY21C, GLY234B, GLY293B, GLY33C, ILE111B, ILE285B, ILE295B, ILE422C, ILE8C, LEU236B, LEU427C, LYS282B, LYS30C, LYS3C, LYS426C, LYS428C, PHE11C, PHE29C, PHE38C, PHE4C, PRO291B, PRO294B, PRO36C, SER292B, SER31C, SER425C, SER7C, THR133B, TYR132B, VAL32C
• B-D: SER292B, SER292D
• C-D: ALA10C, ALA10D, ALA121C, ALA121D, ALA125C, ALA125D, ALA129C, ALA129D, ALA14C, ALA14D, ALA156C, ALA156D, ALA176C, ALA176D, ALA202C, ALA202D, ALA278C, ALA278D, ALA283C, ALA283D, ALA28C, ALA28D, ALA290C, ALA290D, ALA298C, ALA298D, ALA307C, ALA307D, ALA310C, ALA310D, ALA70C, ALA70D, ALA80C, ALA80D, ALA82C, ALA82D, ALA90C, ALA90D, ALA99C, ALA99D, ALA9C, ALA9D, ARG113C, ARG113D, ARG127C, ARG127D, ARG130C, ARG130D, ARG135C, ARG135D, ARG27C, ARG27D, ARG287C, ARG287D, ARG41C, ARG41D, ARG84C, ARG84D, ASN116C, ASN116D, ASN136C, ASN136D, ASN178C, ASN178D, ASN212C, ASN212D, ASN23C, ASN23D, ASN304C, ASN304D, ASN35C, ASN35D, ASN71C, ASN71D, ASN96C, ASN96D, ASP150C, ASP150D, ASP167C, ASP167D, ASP16C, ASP16D, ASP200C, ASP200D, ASP49C, ASP49D, ASP57C, ASP57D, ASP72C, ASP72D, GLN15C, GLN15D, GLN288C, GLN288D, GLN297C, GLN297D, GLU104C, GLU104D, GLU110C, GLU110D, GLU120C, GLU120D, GLU12C, GLU12D, GLU13C, GLU13D, GLU173C, GLU173D, GLU40C, GLU40D, GLU76C, GLU76D, GLU83C, GLU83D, GLU93C, GLU93D, GLU95C, GLU95D, GLY118C, GLY118D, GLY131C, GLY131D, GLY134C, GLY134D, GLY147C, GLY147D, GLY149C, GLY149D, GLY157C, GLY159C, GLY170C, GLY170D, GLY174C, GLY174D, GLY20C, GLY20D, GLY21C, GLY21D, GLY267C, GLY267D, GLY271C, GLY271D, GLY272C, GLY272D, GLY273C, GLY273D, GLY277C, GLY280C, GLY280D, GLY281C, GLY281D, GLY293C, GLY293D, GLY299C, GLY299D, GLY303C, GLY303D, GLY42C, GLY42D, GLY44C, GLY44D, GLY63C, GLY63D, GLY68C, GLY68D, GLY85C, GLY85D, GLY89C, GLY89D, HIS146C, HIS146D, HIS148C, HIS148D, HIS69C, HIS69D, ILE103C, ILE103D, ILE109C, ILE109D, ILE111C, ILE111D, ILE138C, ILE138D, ILE285C, ILE285D, ILE295C, ILE295D, ILE50C, ILE50D, ILE94C, ILE94D, LEU101C, LEU101D, LEU126C, LEU126D, LEU128C, LEU128D, LEU152C, LEU152D, LEU153C, LEU153D, LEU17C, LEU17D, LEU274C, LEU274D, LEU301C, LEU301D, LEU306C, LEU306D, LEU37C, LEU37D, LEU60C, LEU60D, LEU65C, LEU65D, LEU78C, LEU78D, LEU98C, LEU98D, LYS100C, LYS100D, LYS137C, LYS137D, LYS177C, LYS177D, LYS268C, LYS268D, LYS30C, LYS30D, LYS43C, LYS43D, LYS46C, LYS46D, LYS6C, LYS6D, LYS79C, LYS79D, LYS97C, LYS97D, PHE11C, PHE11D, PHE29C, PHE29D, PHE38C, PHE38D, PHE393C, PHE393D, PHE88C, PHE88D, PRO166D, PRO169C, PRO169D, PRO172C, PRO172D, PRO19C, PRO19D, PRO25C, PRO25D, PRO275C, PRO275D, PRO291C, PRO291D, PRO294C, PRO294D, PRO305C, PRO305D, PRO36C, PRO36D, PRO395C, PRO395D, PRO396C, PRO396D, PRO64C, PRO64D, PRO91C, PRO91D, SER117C, SER117D, SER124C, SER124D, SER151C, SER151D, SER158C, SER168C, SER168D, SER24C, SER24D, SER292C, SER292D, SER302C, SER302D, SER61C, SER61D, SER7C, SER7D, SER87C, SER87D, THR119C, THR119D, THR122D, THR133C, THR133D, THR179C, THR300C, THR300D, THR86C, THR86D, THR92C, THR92D, TRP62C, TRP62D, TYR132C, TYR132D, TYR145C, TYR145D, TYR279C, TYR279D, TYR296C, TYR296D, TYR384C, TYR384D, TYR48C, TYR48D, VAL102C, VAL102D, VAL112C, VAL112D, VAL115C, VAL115D, VAL160C, VAL171C, VAL171D, VAL175C, VAL175D, VAL22C, VAL22D, VAL242C, VAL242D, VAL269C, VAL269D, VAL26C, VAL26D, VAL276C, VAL276D, VAL289C, VAL289D, VAL47C, VAL47D, VAL59C, VAL59D, VAL74C, VAL74D, VAL75C, VAL75D, VAL81C, VAL81D