1SFF

structure of gamma-aminobutyrate aminotransferase complex with aminooxyacetate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 374
  • Norm. En. per Res.: -5.2263
• 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	-392.5345	-76.4112	-1485.68	-1954.6257	374	50	51	58204	9	66	81
A-C	-70.5909	-43.4489	-248.733	-362.7728	118	16	8	10193	4	27	29
A-D	0.0	-2.1669	-1.6387	-3.8056	16	0	0	200	0	16	14
B-C	0.0	-1.6451	-1.3818	-3.0269	15	0	0	196	0	16	13
B-D	-68.2749	-46.22	-261.95	-376.4448	119	15	8	10213	4	29	29
C-D	-352.3943	-72.6595	-1499.28	-1924.3339	371	49	50	57860	10	65	81

Interface residues

• A-B: ALA102A, ALA102B, ALA114A, ALA114B, ALA118A, ALA118B, ALA122A, ALA122B, ALA124A, ALA124B, ALA125A, ALA125B, ALA147A, ALA14A, ALA14B, ALA157A, ALA157B, ALA201A, ALA201B, ALA267A, ALA267B, ALA271A, ALA271B, ALA277A, ALA277B, ALA27A, ALA27B, ALA283A, ALA283B, ALA288A, ALA288B, ALA290A, ALA290B, ALA299A, ALA299B, ALA304A, ALA304B, ALA307A, ALA307B, ALA308A, ALA308B, ALA30A, ALA30B, ALA47A, ALA47B, ALA51A, ALA51B, ALA64A, ALA64B, ALA65A, ALA65B, ALA68A, ALA68B, ALA82A, ALA82B, ARG10A, ARG10B, ARG11A, ARG11B, ARG123A, ARG123B, ARG128A, ARG128B, ARG141A, ARG141B, ARG17A, ARG17B, ARG282A, ARG282B, ARG29A, ARG29B, ARG34A, ARG34B, ARG381A, ARG381B, ARG398A, ARG398B, ASN117A, ASN117B, ASN153A, ASN153B, ASN2A, ASN2B, ASN301A, ASN301B, ASN4A, ASN4B, ASN94A, ASN94B, ASP287A, ASP287B, ASP28A, ASP28B, ASP37A, ASP37B, ASP45A, ASP45B, CYS77A, CYS77B, CYS90A, CYS90B, GLN13A, GLN13B, GLN21A, GLN21B, GLN242A, GLN242B, GLN69A, GLN69B, GLN79A, GLN79B, GLN9A, GLN9B, GLU113A, GLU113B, GLU116A, GLU116B, GLU211B, GLU284A, GLU284B, GLU31A, GLU31B, GLU67A, GLU67B, GLU6A, GLU6B, GLU84A, GLU84B, GLU88A, GLU88B, GLU91A, GLU91B, GLY111A, GLY111B, GLY140A, GLY140B, GLY158A, GLY158B, GLY160A, GLY160B, GLY164A, GLY164B, GLY18A, GLY18B, GLY20A, GLY20B, GLY272A, GLY272B, GLY273A, GLY273B, GLY278A, GLY278B, GLY281A, GLY281B, GLY292A, GLY292B, GLY293A, GLY293B, GLY295A, GLY295B, GLY296A, GLY296B, GLY300A, GLY300B, GLY48A, GLY48B, GLY49A, GLY49B, GLY56A, GLY56B, HIS143A, HIS143B, HIS165A, HIS165B, HIS23A, HIS23B, HIS57A, HIS57B, HIS59A, HIS59B, HIS75A, HIS75B, ILE121A, ILE121B, ILE15A, ILE15B, ILE22A, ILE22B, ILE25A, ILE25B, ILE270A, ILE270B, ILE303A, ILE303B, ILE386A, ILE386B, ILE50A, ILE50B, ILE92A, ILE92B, LEU106A, LEU106B, LEU107A, LEU107B, LEU146A, LEU146B, LEU148A, LEU148B, LEU161A, LEU161B, LEU276A, LEU276B, LEU294A, LEU294B, LEU387A, LEU387B, LEU388A, LEU388B, LEU400A, LEU400B, LEU44A, LEU44B, LEU53A, LEU53B, LEU58A, LEU58B, LEU70A, LEU70B, LEU73A, LEU73B, LEU7A, LEU7B, LEU81A, LEU81B, LEU87A, LEU87B, LEU89A, LEU89B, LYS103A, LYS103B, LYS104A, LYS104B, LYS120A, LYS120B, LYS127A, LYS127B, LYS268A, LYS268B, LYS71A, LYS71B, LYS72A, LYS72B, MET159A, MET159B, MET162A, MET162B, MET286A, MET286B, MET8A, MET8B, MET93A, MET93B, PHE266A, PHE266B, PHE26A, PHE26B, PHE274A, PHE274B, PHE46A, PHE46B, PHE78A, PHE78B, PRO154A, PRO154B, PRO163A, PRO163B, PRO16A, PRO16B, PRO24A, PRO24B, PRO275A, PRO275B, PRO291A, PRO291B, PRO302A, PRO302B, PRO60A, PRO60B, PRO85A, PRO85B, SER112A, SER112B, SER129A, SER129B, SER12A, SER12B, SER156A, SER156B, SER269A, SER269B, SER3A, SER3B, SER74A, SER74B, THR105A, THR105B, THR109A, THR109B, THR110A, THR110B, THR126A, THR126B, THR131A, THR131B, THR142A, THR142B, THR145A, THR145B, THR280A, THR280B, THR297A, THR297B, THR76A, THR76B, TRP36A, TRP36B, TYR138A, TYR138B, TYR144A, TYR144B, TYR155A, TYR155B, TYR298A, TYR298B, TYR43A, TYR43B, TYR83A, TYR83B, TYR86A, TYR86B, VAL108A, VAL108B, VAL115A, VAL115B, VAL119A, VAL119B, VAL152A, VAL152B, VAL166A, VAL166B, VAL19A, VAL19B, VAL241A, VAL241B, VAL279A, VAL279B, VAL285A, VAL285B, VAL289A, VAL289B, VAL35A, VAL35B, VAL38A, VAL38B, VAL52A, VAL52B, VAL62A, VAL62B, VAL63A, VAL63B, VAL66A, VAL66B, VAL80A, VAL80B
• A-C: ALA133A, ALA133C, ALA137A, ALA137C, ALA147A, ALA147C, ALA157A, ALA157C, ALA169A, ALA169C, ALA185A, ALA185C, ALA195A, ALA195C, ALA196A, ALA196C, ALA201A, ALA201C, ARG123A, ARG123C, ARG128A, ARG128C, ARG168A, ARG168C, ARG189A, ARG189C, ASN153A, ASN153C, ASN193A, ASN193C, ASP182A, ASP182C, ASP194A, ASP194C, ASP199A, ASP199C, GLU198A, GLU198C, GLY130A, GLY130C, GLY136A, GLY136C, GLY150A, GLY150C, GLY158A, GLY158C, GLY160A, GLY160C, GLY164A, GLY164C, GLY177A, GLY177C, GLY391C, HIS165A, HIS165C, HIS176A, HIS176C, HIS188A, HIS188C, ILE178A, ILE178C, ILE190A, ILE190C, ILE200A, ILE200C, LEU146A, LEU146C, LEU148A, LEU148C, LEU161A, LEU161C, LEU170A, LEU170C, LYS151A, LYS151C, LYS192A, LYS192C, MET159A, MET159C, MET162A, MET162C, PHE134A, PHE134C, PHE191A, PHE191C, PRO163A, PRO163C, PRO197A, PRO197C, PRO368C, PRO392A, PRO392C, SER129A, SER129C, SER135A, SER135C, SER156A, SER156C, SER186A, SER186C, THR131A, THR131C, THR149A, THR149C, TYR155A, TYR155C, TYR167A, TYR167C, TYR171A, TYR171C, TYR393A, TYR393C, TYR394A, TYR394C, VAL152A, VAL152C, VAL166A, VAL166C
• A-D: ARG123A, ARG123D, ASP199A, ASP199D, GLU198A, GLU198D, GLY164A, GLY164D, HIS165A, HIS165D, LYS127A, LYS127D, PRO163A, PRO163D, SER129A, SER129D
• B-C: ARG123B, ARG123C, ASP199B, ASP199C, GLU198B, GLU198C, GLY164B, GLY164C, HIS165B, HIS165C, LYS127B, LYS127C, PRO163C, SER129B, SER129C
• B-D: ALA133B, ALA133D, ALA137B, ALA137D, ALA147B, ALA147D, ALA157B, ALA157D, ALA169B, ALA169D, ALA185B, ALA185D, ALA195B, ALA195D, ALA196B, ALA196D, ALA201B, ALA201D, ARG123B, ARG123D, ARG128B, ARG128D, ARG168B, ARG168D, ARG189B, ARG189D, ASN153B, ASN153D, ASN193B, ASN193D, ASP182B, ASP182D, ASP194B, ASP194D, ASP199B, ASP199D, GLU198B, GLU198D, GLY130B, GLY130D, GLY136B, GLY136D, GLY150B, GLY150D, GLY158B, GLY158D, GLY160B, GLY160D, GLY164B, GLY164D, GLY177B, GLY177D, GLY391D, HIS165B, HIS165D, HIS176B, HIS176D, HIS188B, HIS188D, ILE178B, ILE178D, ILE190B, ILE190D, ILE200B, ILE200D, LEU146B, LEU146D, LEU148B, LEU148D, LEU161B, LEU161D, LEU170B, LEU170D, LYS151B, LYS151D, LYS192B, LYS192D, MET159B, MET159D, MET162B, MET162D, PHE134B, PHE134D, PHE191B, PHE191D, PRO163B, PRO163D, PRO197B, PRO197D, PRO368B, PRO368D, PRO392B, PRO392D, SER129B, SER129D, SER135B, SER135D, SER156B, SER156D, SER186B, SER186D, THR131B, THR131D, THR149B, THR149D, TYR155B, TYR155D, TYR167B, TYR167D, TYR171B, TYR171D, TYR393B, TYR393D, TYR394B, TYR394D, VAL152B, VAL152D, VAL166B, VAL166D
• C-D: ALA102C, ALA102D, ALA114C, ALA114D, ALA118C, ALA118D, ALA122C, ALA122D, ALA124C, ALA124D, ALA125C, ALA125D, ALA14C, ALA14D, ALA157C, ALA157D, ALA201C, ALA201D, ALA267C, ALA267D, ALA271C, ALA271D, ALA277C, ALA277D, ALA27C, ALA27D, ALA283C, ALA283D, ALA288C, ALA288D, ALA290C, ALA290D, ALA299C, ALA299D, ALA304C, ALA304D, ALA307C, ALA307D, ALA30C, ALA30D, ALA47C, ALA47D, ALA51C, ALA51D, ALA64C, ALA64D, ALA65C, ALA65D, ALA68C, ALA68D, ALA82C, ALA82D, ARG10C, ARG10D, ARG11C, ARG11D, ARG123C, ARG123D, ARG128C, ARG128D, ARG141C, ARG141D, ARG17C, ARG17D, ARG282C, ARG282D, ARG29C, ARG29D, ARG34C, ARG34D, ARG381C, ARG381D, ARG398C, ARG398D, ASN117C, ASN117D, ASN153C, ASN153D, ASN2C, ASN2D, ASN301C, ASN301D, ASN4C, ASN4D, ASN94C, ASN94D, ASP287C, ASP287D, ASP28C, ASP28D, ASP37C, ASP37D, ASP45C, ASP45D, CYS77C, CYS77D, CYS90C, CYS90D, GLN13C, GLN13D, GLN21C, GLN21D, GLN242C, GLN242D, GLN69C, GLN69D, GLN79C, GLN79D, GLN9C, GLN9D, GLU113C, GLU113D, GLU116C, GLU116D, GLU211C, GLU211D, GLU284C, GLU284D, GLU31C, GLU31D, GLU67C, GLU67D, GLU6C, GLU6D, GLU84C, GLU84D, GLU88C, GLU88D, GLU91C, GLU91D, GLY111C, GLY111D, GLY140C, GLY140D, GLY158C, GLY158D, GLY160C, GLY160D, GLY164C, GLY164D, GLY18C, GLY18D, GLY20C, GLY20D, GLY272C, GLY272D, GLY273C, GLY273D, GLY278C, GLY278D, GLY281C, GLY281D, GLY292C, GLY292D, GLY293C, GLY293D, GLY295C, GLY295D, GLY296C, GLY296D, GLY300C, GLY300D, GLY48C, GLY48D, GLY49C, GLY49D, GLY56C, GLY56D, HIS143C, HIS143D, HIS165C, HIS165D, HIS23C, HIS23D, HIS57C, HIS57D, HIS59C, HIS59D, HIS75C, HIS75D, ILE121C, ILE121D, ILE15C, ILE15D, ILE22C, ILE22D, ILE25C, ILE25D, ILE270C, ILE270D, ILE303C, ILE303D, ILE386C, ILE386D, ILE50C, ILE50D, ILE92C, ILE92D, LEU106C, LEU106D, LEU107C, LEU107D, LEU146C, LEU146D, LEU148C, LEU148D, LEU161C, LEU161D, LEU276C, LEU276D, LEU294C, LEU294D, LEU385D, LEU387C, LEU387D, LEU388C, LEU388D, LEU400C, LEU400D, LEU44C, LEU44D, LEU53C, LEU53D, LEU58C, LEU58D, LEU70C, LEU70D, LEU73C, LEU73D, LEU7C, LEU7D, LEU81C, LEU81D, LEU87C, LEU87D, LEU89C, LEU89D, LYS103C, LYS103D, LYS104C, LYS104D, LYS120C, LYS120D, LYS127C, LYS127D, LYS268C, LYS268D, LYS71C, LYS71D, LYS72C, LYS72D, MET159C, MET159D, MET162C, MET162D, MET286C, MET286D, MET8C, MET8D, MET93C, MET93D, PHE266C, PHE266D, PHE26C, PHE26D, PHE274C, PHE274D, PHE46C, PHE78C, PHE78D, PRO154C, PRO154D, PRO163C, PRO163D, PRO16C, PRO16D, PRO24C, PRO24D, PRO275C, PRO275D, PRO291C, PRO291D, PRO302C, PRO302D, PRO85C, PRO85D, SER112C, SER112D, SER129C, SER129D, SER12C, SER12D, SER156C, SER156D, SER269C, SER269D, SER389D, SER3C, SER3D, SER74C, SER74D, THR105C, THR105D, THR109C, THR109D, THR110C, THR110D, THR126C, THR126D, THR131C, THR131D, THR142C, THR142D, THR145C, THR145D, THR280C, THR280D, THR297C, THR297D, THR76C, THR76D, TRP36C, TRP36D, TYR138C, TYR138D, TYR144C, TYR144D, TYR155C, TYR155D, TYR298C, TYR298D, TYR43C, TYR43D, TYR83C, TYR83D, TYR86C, TYR86D, VAL108C, VAL108D, VAL115C, VAL115D, VAL119C, VAL119D, VAL152C, VAL152D, VAL166C, VAL166D, VAL19C, VAL19D, VAL241C, VAL241D, VAL279C, VAL279D, VAL285C, VAL285D, VAL289C, VAL289D, VAL35C, VAL35D, VAL38C, VAL38D, VAL52C, VAL52D, VAL62C, VAL62D, VAL63C, VAL63D, VAL66C, VAL66D, VAL80C, VAL80D