1NIB

the structure of cu-nitrite reductase from achromobacter cycloclastes at five ph values, with nitrite bound and with type ii cu depleted

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 196
  • Norm. En. per Res.: -4.8216
• 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	-179.407	-102.9817	-637.734	-920.1227	202	34	9	24837	10	61	50
A-C	-145.6815	-121.2431	-556.651	-823.5756	183	26	9	22307	11	63	52
B-C	-187.1169	-119.1816	-638.74	-945.0385	196	36	9	24621	10	61	46

Interface residues

• A-B: ALA101A, ALA102A, ALA105A, ALA110A, ALA126A, ALA137A, ALA153A, ALA206A, ALA209A, ALA248A, ALA266A, ALA266B, ALA288A, ALA302B, ALA311B, ALA338B, ARG123A, ARG14A, ARG211A, ARG250A, ARG250B, ARG253A, ARG253B, ARG271A, ARG296B, ARG84A, ASN115A, ASN151A, ASN249A, ASN272A, ASN305B, ASN307B, ASN327B, ASN78A, ASN87A, ASN91A, ASN96A, ASP182A, ASP251A, ASP251B, ASP262B, ASP275B, ASP277B, ASP328B, ASP329B, ASP53B, ASP89A, ASP8A, ASP8A5, ASP98A, CB8.0602237.66106, CYS136A, GLN113A, GLN247A, GLN278B, GLN297B, GLU118A, GLU119A, GLU139A, GLU165B, GLU279B, GLU310B, GLU313B, GLU40A, GLU55B, GLU82A, GLY104A, GLY107A, GLY108A, GLY109A, GLY117A, GLY130A, GLY140A, GLY258B, GLY259B, GLY261B, GLY268A, GLY285A, GLY286A, GLY289A, GLY299B, GLY315B, HIS100A, HIS135A, HIS145A, HIS217B, HIS255B, HIS260B, HIS306B, HIS319B, HIS95A, ILE154A, ILE218B, ILE257B, ILE283A, ILE283B, ILE309B, ILE45A, ILE86A, ILE97A, ILE9A, LEU106A, LEU111A, LEU122A, LEU12A, LEU213A, LEU213B, LEU256B, LEU276B, LEU282A, LEU282B, LEU308B, LEU314B, LEU330B, LEU83A, LEU85A, LEU94A, LYS125A, LYS128A, LYS187B, LYS208A, LYS269A, LYS336B, MET141A, MET210A, MET331B, MET340B, PHE124A, PHE132A, PHE183A, PHE270A, PHE292B, PHE295B, PHE312B, PHE320B, PHE99A, PRO116A, PRO129A, PRO138A, PRO143A, PRO215A, PRO215B, PRO254B, PRO273A, PRO273B, PRO274B, PRO284A, PRO284B, PRO298B, PRO337B, PRO88A, SER246A, SER333B, SER339B, THR103A, THR112A, THR120A, THR121A, THR127A, THR147A, THR212A, THR214A, THR214B, THR216B, THR252A, THR252B, THR267A, THR280B, THR287A, THR294B, THR332B, THR44A, THR90A, TRP144A, TRP265A, TRP281B, TRP326B, TYR134A, TYR184A, TYR184B, TYR193B, TYR203A, TYR263B, TYR293B, TYR301B, TYR303B, TYR80A, VAL114A, VAL131A, VAL133A, VAL142A, VAL146A, VAL156A, VAL207A, VAL224B, VAL264B, VAL300B, VAL304B, VAL334B, VAL335B, VAL38A, VAL81A
• A-C: ALA101C, ALA102C, ALA105C, ALA110C, ALA126C, ALA137C, ALA153C, ALA206C, ALA209C, ALA248C, ALA266A, ALA266C, ALA288C, ALA302A, ALA311A, ALA338A, ARG123C, ARG14C, ARG211C, ARG250A, ARG250C, ARG253A, ARG253C, ARG271C, ARG296A, ARG84C, ASN151C, ASN249C, ASN272C, ASN305A, ASN307A, ASN327A, ASN78C, ASN96C, ASP182C, ASP251A, ASP251C, ASP262A, ASP275A, ASP277A, ASP328A, ASP329A, ASP53A, ASP8C, ASP98C, CYS136C, GLN181C, GLN247C, GLN278A, GLN297A, GLU119C, GLU139C, GLU165A, GLU279A, GLU310A, GLU313A, GLU40C, GLU55A, GLU82C, GLY104C, GLY107C, GLY108C, GLY109C, GLY130C, GLY140C, GLY258A, GLY259A, GLY261A, GLY268C, GLY285C, GLY286C, GLY289C, GLY299A, GLY315A, HIS100C, HIS135C, HIS145C, HIS217A, HIS255A, HIS260A, HIS306A, HIS319A, ILE154C, ILE218A, ILE257A, ILE283A, ILE283C, ILE309A, ILE9C, LEU106C, LEU111C, LEU122C, LEU12C, LEU213A, LEU213C, LEU256A, LEU276A, LEU282A, LEU282C, LEU308A, LEU314A, LEU330A, LEU83C, LYS125C, LYS128C, LYS187A, LYS208C, LYS269C, LYS336A, MET141C, MET210C, MET331A, MET340A, PHE124C, PHE132C, PHE183C, PHE270C, PHE292A, PHE295A, PHE312A, PHE320A, PHE99C, PRO129C, PRO143C, PRO215A, PRO215C, PRO254A, PRO273A, PRO273C, PRO274A, PRO284A, PRO284C, PRO298A, SER10C, SER246C, SER333A, SER339A, THR103C, THR112C, THR11C, THR120C, THR121C, THR127C, THR147C, THR212C, THR214A, THR214C, THR216A, THR252A, THR252C, THR267C, THR280A, THR287C, THR294A, THR332A, TRP144C, TRP265C, TRP281A, TRP326A, TYR134C, TYR184A, TYR184C, TYR193A, TYR203C, TYR263A, TYR293A, TYR301A, TYR303A, TYR80C, VAL131C, VAL133C, VAL142C, VAL146C, VAL156C, VAL207C, VAL224A, VAL264A, VAL300A, VAL304A, VAL334A, VAL335A, VAL38C, VAL81C
• B-C: ALA101B, ALA102B, ALA105B, ALA110B, ALA126B, ALA137B, ALA153B, ALA206B, ALA209B, ALA248B, ALA266B, ALA266C, ALA288B, ALA302C, ALA311C, ALA338C, ARG123B, ARG14B, ARG211B, ARG250B, ARG250C, ARG253B, ARG253C, ARG271B, ARG296C, ARG84B, ASN115B, ASN151B, ASN249B, ASN272B, ASN305C, ASN307C, ASN327C, ASN78B, ASN87B, ASN96B, ASP182B, ASP251B, ASP251C, ASP262C, ASP275C, ASP277C, ASP328C, ASP329C, ASP53C, ASP89B, ASP8B, ASP98B, CYS136B, GLN113B, GLN247B, GLN278C, GLN297C, GLU118B, GLU119B, GLU139B, GLU165C, GLU279C, GLU310C, GLU313C, GLU55C, GLU77B, GLU82B, GLY104B, GLY107B, GLY108B, GLY109B, GLY117B, GLY130B, GLY140B, GLY258C, GLY259C, GLY261C, GLY268B, GLY285B, GLY286B, GLY289B, GLY299C, GLY315C, HIS100B, HIS135B, HIS145B, HIS217C, HIS255C, HIS260C, HIS306C, HIS319C, HIS95B, ILE154B, ILE218C, ILE257C, ILE283B, ILE283C, ILE309C, ILE86B, ILE97B, ILE9B, LEU106B, LEU111B, LEU122B, LEU12B, LEU213B, LEU213C, LEU256C, LEU276C, LEU282B, LEU282C, LEU308C, LEU314C, LEU330C, LEU83B, LEU85B, LEU94B, LYS125B, LYS128B, LYS187C, LYS208B, LYS269B, LYS336C, MET141B, MET210B, MET331C, MET340C, PHE124B, PHE132B, PHE183B, PHE270B, PHE295C, PHE312C, PHE320C, PHE99B, PRO116B, PRO129B, PRO143B, PRO215B, PRO215C, PRO254C, PRO273B, PRO273C, PRO274C, PRO284B, PRO284C, PRO298C, PRO337C, PRO88B, SER246B, SER333C, SER339C, THR103B, THR112B, THR120B, THR121B, THR127B, THR147B, THR212B, THR212C, THR214B, THR214C, THR216C, THR252B, THR252C, THR267B, THR280C, THR287B, THR294C, THR332C, THR44B, TRP144B, TRP265B, TRP281C, TRP326C, TYR134B, TYR184B, TYR184C, TYR193C, TYR203B, TYR263C, TYR293C, TYR301C, TYR303C, TYR80B, VAL114B, VAL131B, VAL133B, VAL142B, VAL146B, VAL156B, VAL207B, VAL224C, VAL264C, VAL300C, VAL304C, VAL334C, VAL335C, VAL38B, VAL81B